Product OPENEYE NAME: N-(2-methoxy-4-nitro-phenyl)-2-nitro-benzenesulfonamide
CAS Name: N-(2-methoxy-4-nitrophenyl)-2-nitrobenzenesulfonamide
IUPAC NAME: N-(2-methoxy-4-nitrophenyl)-2-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-(2-methoxy-4-nitro-phenyl)-2-nitro-benzenesulfonamide
MOLECULAR FORMULA: C13H11N3O7S
MOLECULAR WEIGHT: 353.30734
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 6-tert-butyl-N-(4-ethoxyphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-N-(4-ethoxyphenyl)-2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-N-(4-ethoxyphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-N-(4-ethoxyphenyl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C26H30N2O3S2
MOLECULAR WEIGHT: 482.658
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: 1-(2-phenylethyl)-3-sec-butyl-thiourea
CAS Name: 1-butan-2-yl-3-(2-phenylethyl)thiourea
IUPAC NAME: 1-butan-2-yl-3-(2-phenylethyl)thiourea
SYSTEMATIC NAME: 1-butan-2-yl-3-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C13H20N2S
MOLECULAR WEIGHT: 236.3763
SMILES: CCC(C)NC(=S)NCCC1=CC=CC=C1
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Product OPENEYE NAME: N-(3-methyl-2-pyridyl)pyridine-4-carboxamide
CAS Name: N-(3-methyl-2-pyridinyl)-4-pyridinecarboxamide
IUPAC NAME: N-(3-methylpyridin-2-yl)pyridine-4-carboxamide
SYSTEMATIC NAME: N-(3-methylpyridin-2-yl)pyridine-4-carboxamide
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: CC1=C(N=CC=C1)NC(=O)C2=CC=NC=C2
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Product OPENEYE NAME: 3-[(3-allyloxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CAS Name: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(3-prop-2-enoxyphenyl)methyl]-1H-indole
IUPAC NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(3-prop-2-enoxyphenyl)methyl]-1H-indole
SYSTEMATIC NAME: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(3-prop-2-enoxyphenyl)methyl]-1H-indole
MOLECULAR FORMULA: C28H26N2O
MOLECULAR WEIGHT: 406.51884
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC(=CC=C3)OCC=C)C4=C(NC5=CC=CC=C54)C
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Product OPENEYE NAME: ethyl 5-(4-fluorophenyl)-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylene]-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 5-(4-fluorophenyl)-2-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methylidene]-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(4-fluorophenyl)-2-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-fluorophenyl)-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methylidene]-3-oxidanylidene-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C32H27FN4O5S
MOLECULAR WEIGHT: 598.643983
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)S2)C6=CC=CC=C6
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Product OPENEYE NAME: ethyl 2-[[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 2-[[1-[(2,4-dichlorophenyl)methyl]-2-indolyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C33H27Cl2N3O4S
MOLECULAR WEIGHT: 632.55618
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC5=CC=CC=C5N4CC6=C(C=C(C=C6)Cl)Cl)S2)C
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Product OPENEYE NAME: 4-dodecoxy-3,5-dimethoxy-benzoic acid
CAS Name: 4-dodecoxy-3,5-dimethoxybenzoic acid
IUPAC NAME: 4-dodecoxy-3,5-dimethoxybenzoic acid
SYSTEMATIC NAME: 4-dodecoxy-3,5-dimethoxy-benzoic acid
MOLECULAR FORMULA: C21H34O5
MOLECULAR WEIGHT: 366.49166
SMILES: CCCCCCCCCCCCOC1=C(C=C(C=C1OC)C(=O)O)OC
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Product OPENEYE NAME: 4-[1-carboxy-2-(1H-indol-3-yl)ethyl]iminopent-2-en-2-olate
CAS Name: 4-[1-carboxy-2-(1H-indol-3-yl)ethyl]imino-2-penten-2-olate
IUPAC NAME: 4-[1-carboxy-2-(1H-indol-3-yl)ethyl]iminopent-2-en-2-olate
SYSTEMATIC NAME: 4-[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]iminopent-2-en-2-olate
MOLECULAR FORMULA: C16H17N2O3-
MOLECULAR WEIGHT: 285.31778
SMILES: CC(=CC(=NC(CC1=CNC2=CC=CC=C21)C(=O)O)C)[O-]
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Product OPENEYE NAME: 6-(4-chlorophenyl)-2,4-dihydro-1H-1,2,4-triazine-3-thione
CAS Name: 6-(4-chlorophenyl)-2,4-dihydro-1H-1,2,4-triazine-3-thione
IUPAC NAME: 6-(4-chlorophenyl)-2,4-dihydro-1H-1,2,4-triazine-3-thione
SYSTEMATIC NAME: 6-(4-chlorophenyl)-2,4-dihydro-1H-1,2,4-triazine-3-thione
MOLECULAR FORMULA: C9H8ClN3S
MOLECULAR WEIGHT: 225.69792
SMILES: C1=CC(=CC=C1C2=CNC(=S)NN2)Cl
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Product OPENEYE NAME: 4-[[2,2,2-trichloro-1-(octanoylamino)ethyl]carbamothioylamino]benzoic acid
CAS Name: 4-[[sulfanylidene-[[2,2,2-trichloro-1-(1-oxooctylamino)ethyl]amino]methyl]amino]benzoic acid
IUPAC NAME: 4-[[2,2,2-trichloro-1-(octanoylamino)ethyl]carbamothioylamino]benzoic acid
SYSTEMATIC NAME: 4-[[2,2,2-tris(chloranyl)-1-(octanoylamino)ethyl]carbamothioylamino]benzoic acid
MOLECULAR FORMULA: C18H24Cl3N3O3S
MOLECULAR WEIGHT: 468.82546
SMILES: CCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 3-(2-ethylphenyl)-2-(2-ethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
CAS Name: 3-(2-ethylphenyl)-2-(2-ethylphenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolidinone
IUPAC NAME: 3-(2-ethylphenyl)-2-(2-ethylphenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(2-ethylphenyl)-2-(2-ethylphenyl)imino-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C27H26N2O3S
MOLECULAR WEIGHT: 458.57194
SMILES: CCC1=CC=CC=C1N=C2N(C(=O)C(=CC3=CC(=C(C=C3)O)OC)S2)C4=CC=CC=C4CC
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Product OPENEYE NAME: 2-[4-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid
CAS Name: 2-[4-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]-2-methoxyphenoxy]acetic acid
IUPAC NAME: 2-[4-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]ethanoic acid
MOLECULAR FORMULA: C29H28N2O5S
MOLECULAR WEIGHT: 516.60802
SMILES: CC1=C(C=C(C=C1)N=C2N(C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)S2)C4=CC(=C(C=C4)C)C)C
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Product OPENEYE NAME: N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CAS Name: N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
IUPAC NAME: N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
SYSTEMATIC NAME: N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
MOLECULAR FORMULA: C14H25NO
MOLECULAR WEIGHT: 223.3544
SMILES: CC1CC(CC(C1)(C)C)NC(=O)C2CCC2
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Product OPENEYE NAME: 5-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-2-thioxo-imidazolidin-4-one
CAS Name: 5-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-2-sulfanylidene-4-imidazolidinone
IUPAC NAME: 5-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C15H16N4O3S
MOLECULAR WEIGHT: 332.37754
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)NC(=S)N3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-bromo-4-methyl-phenyl)-1-ethyl-5-methyl-pyrazole-4-carboxamide
CAS Name: N-(2-bromo-4-methylphenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
IUPAC NAME: N-(2-bromo-4-methylphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(2-bromanyl-4-methyl-phenyl)-1-ethyl-5-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C14H16BrN3O
MOLECULAR WEIGHT: 322.20034
SMILES: CCN1C(=C(C=N1)C(=O)NC2=C(C=C(C=C2)C)Br)C
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Product OPENEYE NAME: 3-amino-N-(3-fluoro-4-methyl-phenyl)-6-(4-pyridyl)thieno[2,3-b]pyridine-2-carboxamide
CAS Name: 3-amino-N-(3-fluoro-4-methylphenyl)-6-pyridin-4-yl-2-thieno[2,3-b]pyridinecarboxamide
IUPAC NAME: 3-amino-N-(3-fluoro-4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-N-(3-fluoranyl-4-methyl-phenyl)-6-pyridin-4-yl-thieno[2,3-b]pyridine-2-carboxamide
MOLECULAR FORMULA: C20H15FN4OS
MOLECULAR WEIGHT: 378.422703
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N)F
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Product OPENEYE NAME: 6-amino-3-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: 6-amino-3-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: 6-amino-3-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-3-(4-chlorophenyl)-4-[4-(trifluoromethyloxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C20H12ClF3N4O2
MOLECULAR WEIGHT: 432.78309
SMILES: C1=CC(=CC=C1C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Cl)N)C#N)OC(F)(F)F
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