Product OPENEYE NAME: 3-chloro-N-[1-(3-hydroxyphenyl)ethylideneamino]-6-methyl-benzothiophene-2-carboxamide
CAS Name: 3-chloro-N-[1-(3-hydroxyphenyl)ethylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-N-[1-(3-hydroxyphenyl)ethylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-(3-hydroxyphenyl)ethylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C18H15ClN2O2S
MOLECULAR WEIGHT: 358.8419
SMILES: CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C(C)C3=CC(=CC=C3)O)Cl
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Product OPENEYE NAME: 3-chloro-N-(4-methyl-3-nitro-phenyl)benzamide
CAS Name: 3-chloro-N-(4-methyl-3-nitrophenyl)benzamide
IUPAC NAME: 3-chloro-N-(4-methyl-3-nitrophenyl)benzamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-methyl-3-nitro-phenyl)benzamide
MOLECULAR FORMULA: C14H11ClN2O3
MOLECULAR WEIGHT: 290.70174
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)thiazole-4-carboxamide
CAS Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[2-(1-pyrrolidinyl)ethyl]-4-thiazolecarboxamide
IUPAC NAME: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C23H30N4O3S
MOLECULAR WEIGHT: 442.5743
SMILES: CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)NCCN4CCCC4
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Product OPENEYE NAME: N-benzyl-N-[2-(dimethylamino)ethyl]-2-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]oxazole-4-carboxamide
CAS Name: N-[2-(dimethylamino)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(phenylmethyl)-4-oxazolecarboxamide
IUPAC NAME: N-benzyl-N-[2-(dimethylamino)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,3-oxazole-4-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N-(phenylmethyl)-1,3-oxazole-4-carboxamide
MOLECULAR FORMULA: C29H36N4O4
MOLECULAR WEIGHT: 504.62054
SMILES: CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CO3)C(=O)N(CCN(C)C)CC4=CC=CC=C4
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Product OPENEYE NAME: methyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]benzoate
CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-oxomethyl]benzoic acid methyl ester
IUPAC NAME: methyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]benzoate
SYSTEMATIC NAME: methyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]benzoate
MOLECULAR FORMULA: C19H19NO5
MOLECULAR WEIGHT: 341.35786
SMILES: CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC=CC=C3C(=O)OC
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Product OPENEYE NAME: 3-(1-adamantyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b]thiazol-3-yl]ethyl]-1-(2-furylmethyl)urea
CAS Name: 3-(1-adamantyl)-1-[2-[6-(4-fluorophenyl)-3-imidazo[2,1-b]thiazolyl]ethyl]-1-(2-furanylmethyl)urea
IUPAC NAME: 3-(1-adamantyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)urea
SYSTEMATIC NAME: 3-(1-adamantyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)urea
MOLECULAR FORMULA: C29H31FN4O2S
MOLECULAR WEIGHT: 518.645443
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)N(CCC4=CSC5=NC(=CN45)C6=CC=C(C=C6)F)CC7=CC=CO7
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Product OPENEYE NAME: N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C21H28FN3O
MOLECULAR WEIGHT: 357.464923
SMILES: CC1=C(N(C2=C1CCCC2)CC3=CC=C(C=C3)F)C(=O)NCCN(C)C
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Product OPENEYE NAME: 3-(2,6-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]urea
CAS Name: 3-(2,6-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]urea
IUPAC NAME: 3-(2,6-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SYSTEMATIC NAME: 3-(2,6-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
MOLECULAR FORMULA: C27H28FN3O3
MOLECULAR WEIGHT: 461.527923
SMILES: CC1=C(C(=CC=C1)C)NC(=O)N(CC2CC(=NO2)C3=CC=CC=C3OC)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
CAS Name: N-[2-(2,5-dioxo-1-pyrrolyl)ethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]carbamate
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
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Product OPENEYE NAME: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indane-1,3-dione
CAS Name: 5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]indene-1,3-dione
IUPAC NAME: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindene-1,3-dione
SYSTEMATIC NAME: 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]indene-1,3-dione
MOLECULAR FORMULA: C24H27NO4
MOLECULAR WEIGHT: 393.47548
SMILES: COC1=C(C=C2C(=C1)C(=O)C(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC
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Product OPENEYE NAME: methyl 5-methyl-2-[(1-phenylpyrrolidin-2-ylidene)amino]benzoate
CAS Name: 5-methyl-2-[(1-phenyl-2-pyrrolidinylidene)amino]benzoic acid methyl ester
IUPAC NAME: methyl 5-methyl-2-[(1-phenylpyrrolidin-2-ylidene)amino]benzoate
SYSTEMATIC NAME: methyl 5-methyl-2-[(1-phenylpyrrolidin-2-ylidene)amino]benzoate
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CC1=CC(=C(C=C1)N=C2CCCN2C3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: tert-butyl(carboxymethyl)ammonium
CAS Name: tert-butyl(carboxymethyl)ammonium
IUPAC NAME: tert-butyl(carboxymethyl)azanium
SYSTEMATIC NAME: tert-butyl(2-hydroxy-2-oxoethyl)azanium
MOLECULAR FORMULA: C6H14NO2+
MOLECULAR WEIGHT: 132.18086
SMILES: CC(C)(C)[NH2+]CC(=O)O
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Product OPENEYE NAME: 3-bromopropanamidine
CAS Name: 3-bromopropanimidamide
IUPAC NAME: 3-bromopropanimidamide
SYSTEMATIC NAME: 3-bromanylpropanimidamide
MOLECULAR FORMULA: C3H7BrN2
MOLECULAR WEIGHT: 151.00508
SMILES: C(CBr)C(=N)N
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Product OPENEYE NAME: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid
CAS Name: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid
IUPAC NAME: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid
SYSTEMATIC NAME: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: C1CC2CNCC2(C1)C(=O)O
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Product OPENEYE NAME: magnesium disodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CAS Name: magnesium disodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC NAME: magnesium disodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: magnesium disodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H12MgN2Na2O8
MOLECULAR WEIGHT: 358.49542
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Mg+2]
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Product OPENEYE NAME: 1-hexyl-2-[3-(1-hexyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium
CAS Name: 1-hexyl-2-[3-(1-hexyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole
IUPAC NAME: 1-hexyl-2-[3-(1-hexyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole
SYSTEMATIC NAME: 1-hexyl-2-[3-(1-hexyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole
MOLECULAR FORMULA: C35H49N2+
MOLECULAR WEIGHT: 497.77696
SMILES: CCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCC)(C)C
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Product OPENEYE NAME: N-[1-(benzylamino)-2,2,2-trichloro-ethyl]pyridine-3-carboxamide
CAS Name: N-[2,2,2-trichloro-1-[(phenylmethyl)amino]ethyl]-3-pyridinecarboxamide
IUPAC NAME: N-[1-(benzylamino)-2,2,2-trichloroethyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[2,2,2-tris(chloranyl)-1-[(phenylmethyl)amino]ethyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C15H14Cl3N3O
MOLECULAR WEIGHT: 358.65016
SMILES: C1=CC=C(C=C1)CNC(C(Cl)(Cl)Cl)NC(=O)C2=CN=CC=C2
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Product OPENEYE NAME: 6,8,9-trichloro-4-(2-chloro-6-fluoro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS Name: 6,8,9-trichloro-4-(2-chloro-6-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
IUPAC NAME: 6,8,9-trichloro-4-(2-chloro-6-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SYSTEMATIC NAME: 6,8,9-tris(chloranyl)-4-(2-chloranyl-6-fluoranyl-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
MOLECULAR FORMULA: C18H12Cl4FN
MOLECULAR WEIGHT: 403.104983
SMILES: C1C=CC2C1C(NC3=C2C(=C(C=C3Cl)Cl)Cl)C4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: 1-(2-methoxyethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CAS Name: 1-(2-methoxyethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
IUPAC NAME: 1-(2-methoxyethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
MOLECULAR FORMULA: C12H15N3O2S
MOLECULAR WEIGHT: 265.3314
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)NCCOC
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Product OPENEYE NAME: 2-allylsulfanyl-1-(4-chlorophenyl)sulfonyl-benzimidazole
CAS Name: 1-(4-chlorophenyl)sulfonyl-2-(prop-2-enylthio)benzimidazole
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-2-prop-2-enylsulfanylbenzimidazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-2-prop-2-enylsulfanyl-benzimidazole
MOLECULAR FORMULA: C16H13ClN2O2S2
MOLECULAR WEIGHT: 364.86962
SMILES: C=CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (4-methoxyphenyl) 1-hydroxythieno[3,2-d]diazaborinine-2-carboxylate
CAS Name: 1-hydroxy-2-thieno[3,2-d]diazaborinecarboxylic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 1-hydroxythieno[3,2-d]diazaborinine-2-carboxylate
SYSTEMATIC NAME: (4-methoxyphenyl) 1-oxidanylthieno[3,2-d][1,2,3]diazaborinine-2-carboxylate
MOLECULAR FORMULA: C13H11BN2O4S
MOLECULAR WEIGHT: 302.11344
SMILES: B1(C2=C(C=NN1C(=O)OC3=CC=C(C=C3)OC)SC=C2)O
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Product OPENEYE NAME: 1-allyl-3-[3-[(allylcarbamothioylamino)carbamoyl]-5-phenyl-2-thienyl]thiourea
CAS Name: 1-[[oxo-[5-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenyl]methyl]amino]-3-prop-2-enylthiourea
IUPAC NAME: 1-[5-phenyl-3-[(prop-2-enylcarbamothioylamino)carbamoyl]thiophen-2-yl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[5-phenyl-3-[(prop-2-enylcarbamothioylamino)carbamoyl]thiophen-2-yl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C19H21N5OS3
MOLECULAR WEIGHT: 431.59794
SMILES: C=CCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)NNC(=S)NCC=C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H23N3O4S
MOLECULAR WEIGHT: 473.54352
SMILES: CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C4=C(S2)C(=O)NC(N4)C5=CC=CC=C5)C
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