Product OPENEYE NAME: [3-[2-(3-boronophenyl)-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-8-yl]phenyl]boronic acid
CAS Name: [3-[2-(3-boronophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-8-yl]phenyl]boronic acid
IUPAC NAME: [3-[2-(3-boronophenyl)-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-8-yl]phenyl]boronic acid
SYSTEMATIC NAME: [3-[2-[3-(dihydroxyboranyl)phenyl]-6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-8-yl]phenyl]boronic acid
MOLECULAR FORMULA: C33H29B2IN2O10
MOLECULAR WEIGHT: 762.11723
SMILES: B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(C4C6=CC(=C(C(=C6)I)O)OC)C(=O)N(C5=O)C7=CC=CC(=C7)B(O)O)(O)O
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Product OPENEYE NAME: N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
CAS Name: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-pyridinecarboxamide
IUPAC NAME: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C8H6N4OS2
MOLECULAR WEIGHT: 238.28944
SMILES: C1=CC(=CN=C1)C(=O)NC2=NNC(=S)S2
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Product OPENEYE NAME: methyl 3-amino-5-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate
CAS Name: 3-amino-5-methylsulfonyl-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid methyl ester
IUPAC NAME: methyl 3-amino-5-methylsulfonyl-1-(2-phenylacetyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-5-methylsulfonyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C14H15N3O5S
MOLECULAR WEIGHT: 337.351
SMILES: COC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-(benzenesulfonyl)-N-(4-butylphenyl)formamide
CAS Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)formamide
IUPAC NAME: 1-(benzenesulfonyl)-N-(4-butylphenyl)formamide
SYSTEMATIC NAME: N-(4-butylphenyl)-1-(phenylsulfonyl)methanamide
MOLECULAR FORMULA: C17H19NO3S
MOLECULAR WEIGHT: 317.40266
SMILES: CCCCC1=CC=C(C=C1)NC(=O)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 8-chloro-2-(p-tolyl)quinoline-4-carboxylic acid
CAS Name: 8-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid
IUPAC NAME: 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H12ClNO2
MOLECULAR WEIGHT: 297.73568
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O
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Product OPENEYE NAME: 2-hydroxy-N'-(3-oxobutanoyl)benzohydrazide
CAS Name: N'-(1,3-dioxobutyl)-2-hydroxybenzohydrazide
IUPAC NAME: 2-hydroxy-N'-(3-oxobutanoyl)benzohydrazide
SYSTEMATIC NAME: 2-oxidanyl-N'-(3-oxidanylidenebutanoyl)benzohydrazide
MOLECULAR FORMULA: C11H12N2O4
MOLECULAR WEIGHT: 236.22398
SMILES: CC(=O)CC(=O)NNC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
CAS Name: 2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-(2-oxolanylmethyl)-2-propenamide
IUPAC NAME: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
MOLECULAR FORMULA: C24H22N4O2
MOLECULAR WEIGHT: 398.45708
SMILES: C1CC(OC1)CNC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N
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Product OPENEYE NAME: 1-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-3-phenyl-urea
CAS Name: 1-[[[2-(2-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylurea
IUPAC NAME: 1-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-3-phenylurea
SYSTEMATIC NAME: 1-[[2-(2-methoxyphenyl)quinolin-4-yl]carbonylamino]-3-phenyl-urea
MOLECULAR FORMULA: C24H20N4O3
MOLECULAR WEIGHT: 412.4406
SMILES: COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-[[2-[[4-(2-methoxyphenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-[[4-(2-methoxyphenyl)-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[[4-(2-methoxyphenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[[4-(2-methoxyphenyl)-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C32H35N5O5S2
MOLECULAR WEIGHT: 633.7808
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)CC5=CC=CC=C5
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
MOLECULAR FORMULA: C22H27N2O3+
MOLECULAR WEIGHT: 367.46138
SMILES: COC1=C(C=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)O)OC
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Name: N-(3,4-dimethylphenyl)-7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine
IUPAC NAME: N-(3,4-dimethylphenyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C27H24N4O
MOLECULAR WEIGHT: 420.50566
SMILES: CC1=C(C=C(C=C1)NC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C
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Product OPENEYE NAME: 1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-thienyl)ethanone
CAS Name: 1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone
IUPAC NAME: 1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone
SYSTEMATIC NAME: 1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-yl-ethanone
MOLECULAR FORMULA: C25H27NO5S
MOLECULAR WEIGHT: 453.55058
SMILES: COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CS4)OC)OC
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Product OPENEYE NAME: N-(2,4-dimethoxyphenyl)-2-[1-(o-tolylmethyl)indol-3-yl]sulfanyl-acetamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[[1-[(2-methylphenyl)methyl]-3-indolyl]thio]acetamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C26H26N2O3S
MOLECULAR WEIGHT: 446.56124
SMILES: CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=C(C=C4)OC)OC
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Product OPENEYE NAME: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C27H27F3N2O4S
MOLECULAR WEIGHT: 532.57449
SMILES: COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)C(F)(F)F)OC)OC
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Product OPENEYE NAME: N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propyl-pentanamide
CAS Name: N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
IUPAC NAME: N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
SYSTEMATIC NAME: N-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-2-propyl-pentanamide
MOLECULAR FORMULA: C21H30N2O4
MOLECULAR WEIGHT: 374.4739
SMILES: CCCC(CCC)C(=O)NCCC1=CC2=C(C=CC(=C2NC1=O)OC)OC
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Product OPENEYE NAME: 3-amino-N4-butyl-5-(2,4-dimethylphenyl)imino-N2-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2H-thiophene-2,4-dicarboxamide
CAS Name: 3-amino-N4-butyl-5-(2,4-dimethylphenyl)imino-N2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2H-thiophene-2,4-dicarboxamide
IUPAC NAME: 3-amino-4-N-butyl-5-(2,4-dimethylphenyl)imino-2-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2H-thiophene-2,4-dicarboxamide
SYSTEMATIC NAME: 3-azanyl-N4-butyl-5-(2,4-dimethylphenyl)imino-N2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2H-thiophene-2,4-dicarboxamide
MOLECULAR FORMULA: C30H39N5O4S2
MOLECULAR WEIGHT: 597.79176
SMILES: CCCCNC(=O)C1=C(C(SC1=NC2=C(C=C(C=C2)C)C)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)N
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Product OPENEYE NAME: ethyl 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C23H26ClN3O4S2
MOLECULAR WEIGHT: 508.05324
SMILES: CCCCNC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC=C(C=C3)Cl
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