Product OPENEYE NAME: [2-[3-(dimethylamino)propyl]-4-ethylsulfanyl-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-[3-(dimethylamino)propyl]-4-(ethylthio)-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-[3-(dimethylamino)propyl]-4-ethylsulfanylpyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-[3-(dimethylamino)propyl]-4-ethylsulfanyl-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C17H22N2OS2
MOLECULAR WEIGHT: 334.49938
SMILES: CCSC1=C(C(=NC=C1)CCCN(C)C)C(=O)C2=CC=CS2
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1-[4,5-dichloro-2-[2-[3-(dimethylamino)propoxy]phenoxy]-3-pyridyl]propan-1-one
CAS Name: 3-(4-chlorophenyl)-1-[4,5-dichloro-2-[2-[3-(dimethylamino)propoxy]phenoxy]-3-pyridinyl]-1-propanone
IUPAC NAME: 3-(4-chlorophenyl)-1-[4,5-dichloro-2-[2-[3-(dimethylamino)propoxy]phenoxy]pyridin-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4,5-bis(chloranyl)-2-[2-[3-(dimethylamino)propoxy]phenoxy]pyridin-3-yl]-3-(4-chlorophenyl)propan-1-one
MOLECULAR FORMULA: C25H25Cl3N2O3
MOLECULAR WEIGHT: 507.8366
SMILES: CN(C)CCCOC1=CC=CC=C1OC2=NC=C(C(=C2C(=O)CCC3=CC=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME: 1-[4,5-dichloro-2-[2-[2-(dimethylamino)ethoxy]phenoxy]-3-pyridyl]-3-phenyl-propan-1-one
CAS Name: 1-[4,5-dichloro-2-[2-[2-(dimethylamino)ethoxy]phenoxy]-3-pyridinyl]-3-phenyl-1-propanone
IUPAC NAME: 1-[4,5-dichloro-2-[2-[2-(dimethylamino)ethoxy]phenoxy]pyridin-3-yl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[4,5-bis(chloranyl)-2-[2-[2-(dimethylamino)ethoxy]phenoxy]pyridin-3-yl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C24H24Cl2N2O3
MOLECULAR WEIGHT: 459.36496
SMILES: CN(C)CCOC1=CC=CC=C1OC2=NC=C(C(=C2C(=O)CCC3=CC=CC=C3)Cl)Cl
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Product OPENEYE NAME: 2-[2-[(4,5-dichloro-2-pyridyl)oxy]phenoxy]-N,N-dimethyl-ethanamine
CAS Name: 2-[2-[(4,5-dichloro-2-pyridinyl)oxy]phenoxy]-N,N-dimethylethanamine
IUPAC NAME: 2-[2-(4,5-dichloropyridin-2-yl)oxyphenoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[2-[4,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C15H16Cl2N2O2
MOLECULAR WEIGHT: 327.20574
SMILES: CN(C)CCOC1=CC=CC=C1OC2=NC=C(C(=C2)Cl)Cl
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Product OPENEYE NAME: [2-[1-[2-[bis(4-fluorophenyl)methyl]-1-piperidyl]hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-[1-[2-[bis(4-fluorophenyl)methyl]-1-piperidinyl]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-[1-[2-[bis(4-fluorophenyl)methyl]piperidin-1-yl]hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-[1-[2-[bis(4-fluorophenyl)methyl]piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C37H42F2N2OS2
MOLECULAR WEIGHT: 632.868986
SMILES: CCCCCC(N1CCCCC1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)SC4=C(C=CC(=N4)C(C)C)C(=O)C5=CC=CS5
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Product OPENEYE NAME: [2-[8-(dimethylamino)octylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone citrate
CAS Name: [2-[8-(dimethylamino)octylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C29H39N2O8S2-3
MOLECULAR WEIGHT: 607.75856
SMILES: CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
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Product OPENEYE NAME: 1-[6-[[6-isopropyl-3-(2-thienylmethyl)-2-pyridyl]sulfanyl]hexyl]-N,N-dimethyl-piperidin-4-amine
CAS Name: N,N-dimethyl-1-[6-[[6-propan-2-yl-3-(thiophen-2-ylmethyl)-2-pyridinyl]thio]hexyl]-4-piperidinamine
IUPAC NAME: N,N-dimethyl-1-[6-[6-propan-2-yl-3-(thiophen-2-ylmethyl)pyridin-2-yl]sulfanylhexyl]piperidin-4-amine
SYSTEMATIC NAME: N,N-dimethyl-1-[6-[6-propan-2-yl-3-(thiophen-2-ylmethyl)pyridin-2-yl]sulfanylhexyl]piperidin-4-amine
MOLECULAR FORMULA: C26H41N3S2
MOLECULAR WEIGHT: 459.75384
SMILES: CC(C)C1=NC(=C(C=C1)CC2=CC=CS2)SCCCCCCN3CCC(CC3)N(C)C
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Product OPENEYE NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-isopropylsulfanyl-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-[3-(dimethylamino)propylthio]-4-(propan-2-ylthio)-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-propan-2-ylsulfanylpyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-propan-2-ylsulfanyl-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C18H24N2OS3
MOLECULAR WEIGHT: 380.59096
SMILES: CC(C)SC1=C(C(=NC=C1)SCCCN(C)C)C(=O)C2=CC=CS2
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Product OPENEYE NAME: (2-chloro-6-isopropyl-3-pyridyl)-(2-thienyl)methanone
CAS Name: (2-chloro-6-propan-2-yl-3-pyridinyl)-thiophen-2-ylmethanone
IUPAC NAME: (2-chloro-6-propan-2-ylpyridin-3-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (2-chloranyl-6-propan-2-yl-pyridin-3-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C13H12ClNOS
MOLECULAR WEIGHT: 265.75848
SMILES: CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)Cl
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Product OPENEYE NAME: 8-chloro-N,N-dimethyl-octan-1-amine
CAS Name: 8-chloro-N,N-dimethyl-1-octanamine
IUPAC NAME: 8-chloro-N,N-dimethyloctan-1-amine
SYSTEMATIC NAME: 8-chloranyl-N,N-dimethyl-octan-1-amine
MOLECULAR FORMULA: C10H22ClN
MOLECULAR WEIGHT: 191.74138
SMILES: CN(C)CCCCCCCCCl
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Product OPENEYE NAME: (E)-1-[2-[2-(2-amino-1,1-dimethyl-ethoxy)phenoxy]-4,5-dichloro-3-pyridyl]-3-(4-chlorophenyl)prop-2-en-1-one
CAS Name: (E)-1-[2-[2-(1-amino-2-methylpropan-2-yl)oxyphenoxy]-4,5-dichloro-3-pyridinyl]-3-(4-chlorophenyl)-2-propen-1-one
IUPAC NAME: (E)-1-[2-[2-(1-amino-2-methylpropan-2-yl)oxyphenoxy]-4,5-dichloropyridin-3-yl]-3-(4-chlorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[2-[2-(1-azanyl-2-methyl-propan-2-yl)oxyphenoxy]-4,5-bis(chloranyl)pyridin-3-yl]-3-(4-chlorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C24H21Cl3N2O3
MOLECULAR WEIGHT: 491.79414
SMILES: CC(C)(CN)OC1=CC=CC=C1OC2=NC=C(C(=C2C(=O)/C=C/C3=CC=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid
CAS Name: [2-[6-(dimethylamino)hexylthio]-6-propyl-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid
IUPAC NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid
SYSTEMATIC NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid
MOLECULAR FORMULA: C23H32N2O5S2
MOLECULAR WEIGHT: 480.64058
SMILES: CCCC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C.C(=O)(C(=O)O)O
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Product OPENEYE NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-[6-(dimethylamino)hexylthio]-6-propyl-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propylpyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-[6-(dimethylamino)hexylsulfanyl]-6-propyl-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C21H30N2OS2
MOLECULAR WEIGHT: 390.6057
SMILES: CCCC1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN(C)C
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Product OPENEYE NAME: [4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-phenoxy-3-pyridyl]-(2-thienyl)methanone
CAS Name: [4-[2-(4-methyl-1-piperazinyl)ethoxy]-2-phenoxy-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-phenoxypyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-phenoxy-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C23H25N3O3S
MOLECULAR WEIGHT: 423.5279
SMILES: CN1CCN(CC1)CCOC2=C(C(=NC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CS4
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Product OPENEYE NAME: (2-phenoxy-3-pyridyl)-(2-thienyl)methanone
CAS Name: (2-phenoxy-3-pyridinyl)-thiophen-2-ylmethanone
IUPAC NAME: (2-phenoxypyridin-3-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (2-phenoxypyridin-3-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C16H11NO2S
MOLECULAR WEIGHT: 281.32904
SMILES: C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)C3=CC=CS3
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Product OPENEYE NAME: [2-[2-[3-(dimethylamino)propylsulfanyl]-1-methyl-ethyl]sulfanyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid
CAS Name: [2-[1-[3-(dimethylamino)propylthio]propan-2-ylthio]-3-pyridinyl]-thiophen-2-ylmethanone; oxalic acid
IUPAC NAME: [2-[1-[3-(dimethylamino)propylsulfanyl]propan-2-ylsulfanyl]pyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid
SYSTEMATIC NAME: [2-[1-[3-(dimethylamino)propylsulfanyl]propan-2-ylsulfanyl]pyridin-3-yl]-thiophen-2-yl-methanone; ethanedioic acid
MOLECULAR FORMULA: C20H26N2O5S3
MOLECULAR WEIGHT: 470.62584
SMILES: CC(CSCCCN(C)C)SC1=C(C=CC=N1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O
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Product OPENEYE NAME: 1-[2-[[2-phenoxy-3-(thiophene-2-carbonyl)-4-pyridyl]oxy]ethyl]pyrrolidin-2-one
CAS Name: 1-[2-[[3-[oxo(thiophen-2-yl)methyl]-2-phenoxy-4-pyridinyl]oxy]ethyl]-2-pyrrolidinone
IUPAC NAME: 1-[2-[2-phenoxy-3-(thiophene-2-carbonyl)pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-(2-phenoxy-3-thiophen-2-ylcarbonyl-pyridin-4-yl)oxyethyl]pyrrolidin-2-one
MOLECULAR FORMULA: C22H20N2O4S
MOLECULAR WEIGHT: 408.4702
SMILES: C1CC(=O)N(C1)CCOC2=C(C(=NC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CS4
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Product OPENEYE NAME: [(N-[5-(2-fluorophenyl)-1-isopentyl-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)sulfanyl-(3-methylsulfanylphenyl)methyl]urea
CAS Name: [[(N-[5-(2-fluorophenyl)-1-(3-methylbutyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)thio]-[3-(methylthio)phenyl]methyl]urea
IUPAC NAME: [(N-[5-(2-fluorophenyl)-1-(3-methylbutyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]anilino)sulfanyl-(3-methylsulfanylphenyl)methyl]urea
SYSTEMATIC NAME: 1-[[[5-(2-fluorophenyl)-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-phenyl-amino]sulfanyl-(3-methylsulfanylphenyl)methyl]urea
MOLECULAR FORMULA: C35H36FN5O3S2
MOLECULAR WEIGHT: 657.820443
SMILES: CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N(C3=CC=CC=C3)SC(C4=CC(=CC=C4)SC)NC(=O)N)C5=CC=CC=C5F
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Product OPENEYE NAME: ethyl 3-ureidobenzoate
CAS Name: 3-(carbamoylamino)benzoic acid ethyl ester
IUPAC NAME: ethyl 3-(carbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 3-(aminocarbonylamino)benzoate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)N
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Product OPENEYE NAME: potassium; carbonic acid; 4-chloro-N1-phenyl-benzene-1,2-diamine
CAS Name: potassium; carbonic acid; 4-chloro-N1-phenylbenzene-1,2-diamine
IUPAC NAME: potassium; carbonic acid; 4-chloro-1-N-phenylbenzene-1,2-diamine
SYSTEMATIC NAME: potassium; carbonic acid; 4-chloranyl-N1-phenyl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H13ClKN2O3+
MOLECULAR WEIGHT: 319.80522
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)N.C(=O)(O)O.[K+]
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Product OPENEYE NAME: sodium; isobutyl acetate; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; acetic acid 2-methylpropyl ester; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 2-methylpropyl acetate; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 2-methylpropyl ethanoate; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C21H24N2NaO4+
MOLECULAR WEIGHT: 391.41603
SMILES: CC(C)COC(=O)[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C15H13N2O2+
MOLECULAR WEIGHT: 253.27592
SMILES: C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3
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Product OPENEYE NAME: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol
CAS Name: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethyl-2-butanol
IUPAC NAME: zinc; 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol
SYSTEMATIC NAME: zinc; 4-azanyl-2-(2-fluorophenyl)-5-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 3,3-dimethylbutan-2-ol
MOLECULAR FORMULA: C21H26FN3O3Zn+2
MOLECULAR WEIGHT: 452.856843
SMILES: CC(C)(C)C([CH2-])O.C1=CC=C(C(=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N)F.[Zn+2]
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Product OPENEYE NAME: 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: 4-amino-2-(2-fluorophenyl)-5-oxo-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: 4-azanyl-2-(2-fluorophenyl)-5-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C15H13FN3O2+
MOLECULAR WEIGHT: 286.281023
SMILES: C1=CC=C(C(=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N)F
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