Product OPENEYE NAME: 1-(2-furylmethyl)-3-indan-2-yl-thiourea
CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-furanylmethyl)thiourea
IUPAC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-2-yl)-3-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: C1C(CC2=CC=CC=C21)NC(=S)NCC3=CC=CO3
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Product OPENEYE NAME: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidylsulfonyl)benzamide
CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide
IUPAC NAME: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C29H30BrN5O3S2
MOLECULAR WEIGHT: 640.6142
SMILES: CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5
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Product OPENEYE NAME: N-[[4-(3-chlorophenyl)-5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide
CAS Name: N-[[4-(3-chlorophenyl)-5-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
IUPAC NAME: N-[[4-(3-chlorophenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
SYSTEMATIC NAME: N-[[4-(3-chlorophenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide
MOLECULAR FORMULA: C32H26ClFN6O3S2
MOLECULAR WEIGHT: 661.168643
SMILES: COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=C(C=C6)F
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Product OPENEYE NAME: N-[[5-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
CAS Name: N-[[5-[[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide
IUPAC NAME: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C32H30N6O3S3
MOLECULAR WEIGHT: 642.814
SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)C5=CC=CS5)C6=CC=CS6
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Product OPENEYE NAME: 3-(4-nitrophenyl)-1-(p-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
CAS Name: 1-(4-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
IUPAC NAME: 1-(4-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
MOLECULAR FORMULA: C19H20N3O3S+
MOLECULAR WEIGHT: 370.4454
SMILES: CC1=CC=C(C=C1)N2CC([N+]3=C2SCCC3)(C4=CC=C(C=C4)[N+](=O)[O-])O
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Product OPENEYE NAME: N-[[4-benzyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
CAS Name: N-[[5-[(3-fluorophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide
IUPAC NAME: N-[[4-benzyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C28H31FN4OS
MOLECULAR WEIGHT: 490.635343
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC6=CC(=CC=C6)F
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Product OPENEYE NAME: N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CAS Name: N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
IUPAC NAME: N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
SYSTEMATIC NAME: N-cyclohexyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: COC1=CC(=CC(=C1OC)OC)C2C3=CC=CN3CCN2C(=S)NC4CCCCC4
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Product OPENEYE NAME: methyl 4-[[2-(2-chloro-6-fluoro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CAS Name: 4-[[2-[(2-chloro-6-fluorophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(2-chloro-6-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
SYSTEMATIC NAME: methyl 4-[[2-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
MOLECULAR FORMULA: C27H25ClFNO6
MOLECULAR WEIGHT: 513.941903
SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC=C3Cl)F)COC4=CC=C(C=C4)C(=O)OC)OC
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MOLECULAR FORMULA: C8H3ClN8
MOLECULAR WEIGHT: 246.61602
SMILES: C1=CC2=C(C=C1Cl)N3C(=NN=N3)C4=NN=NN24
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Product OPENEYE NAME: 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS Name: 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
IUPAC NAME: 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
SYSTEMATIC NAME: 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
MOLECULAR FORMULA: C28H29F3N2O4
MOLECULAR WEIGHT: 514.53607
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)NC4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: ethyl 2-[6-acetamido-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-acetamido-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-acetamido-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-acetamido-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C26H31N3O7S
MOLECULAR WEIGHT: 529.60524
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OCC
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Product OPENEYE NAME: N-(3-allyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CAS Name: N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
IUPAC NAME: N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SYSTEMATIC NAME: N-[4,6-bis(fluoranyl)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]-3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzamide
MOLECULAR FORMULA: C21H15F2N3O3S
MOLECULAR WEIGHT: 427.423906
SMILES: C=CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)F)F
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Product OPENEYE NAME: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,5-dimethoxy-benzamide
CAS Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,5-dimethoxybenzamide
IUPAC NAME: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,5-dimethoxybenzamide
SYSTEMATIC NAME: N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-3,5-dimethoxy-benzamide
MOLECULAR FORMULA: C20H21FN2O4S
MOLECULAR WEIGHT: 404.455143
SMILES: CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)OC)OC)F
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Product OPENEYE NAME: ethyl 2-[2-(2,6-difluorobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[(2,6-difluorophenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(2,6-difluorobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-[2,6-bis(fluoranyl)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H13F3N2O3S
MOLECULAR WEIGHT: 394.36763
SMILES: CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=C(C=CC=C3F)F)F
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MOLECULAR FORMULA: C32H16N8OTi
MOLECULAR WEIGHT: 576.38944
SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[Ti+2]
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Product OPENEYE NAME: 1-ethyl-2-[3-(3-methylbenzothiopheno[2,3-d]thiazol-3-ium-2-yl)-2-phenyl-prop-2-enylidene]benzo[e][1,3]benzothiazole
CAS Name: 1-ethyl-2-[3-(3-methyl-[1]benzothiolo[2,3-d]thiazol-3-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
IUPAC NAME: 1-ethyl-2-[3-(3-methyl-[1]benzothiolo[2,3-d][1,3]thiazol-3-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
SYSTEMATIC NAME: 1-ethyl-2-[3-(3-methyl-[1]benzothiolo[2,3-d][1,3]thiazol-3-ium-2-yl)-2-phenyl-prop-2-enylidene]benzo[e][1,3]benzothiazole
MOLECULAR FORMULA: C32H25N2S3+
MOLECULAR WEIGHT: 533.7493
SMILES: CCN1C(=CC(=CC2=[N+](C3=C(S2)C4=CC=CC=C4S3)C)C5=CC=CC=C5)SC6=C1C7=CC=CC=C7C=C6
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MOLECULAR FORMULA: C12H8N2O4S2
MOLECULAR WEIGHT: 308.33292
SMILES: C1=COC(=C1)C2C3C(C(=O)NC3=O)SC4=C2SC(=O)N4
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MOLECULAR FORMULA: C28H34ClN3O4
MOLECULAR WEIGHT: 512.04026
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C5CC5)C(=O)NC6=CC(=C(C=C6)C)Cl
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MOLECULAR FORMULA: C30H40ClN3O4
MOLECULAR WEIGHT: 542.1093
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCC(C)C)C(=O)NC5=CC(=C(C=C5)C)Cl
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