Product OPENEYE NAME: 5-bromo-N,N-diisobutyl-thiophene-2-carboxamide
CAS Name: 5-bromo-N,N-bis(2-methylpropyl)-2-thiophenecarboxamide
IUPAC NAME: 5-bromo-N,N-bis(2-methylpropyl)thiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N,N-bis(2-methylpropyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C13H20BrNOS
MOLECULAR WEIGHT: 318.273
SMILES: CC(C)CN(CC(C)C)C(=O)C1=CC=C(S1)Br
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Product OPENEYE NAME: methyl 7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethyl-4-pyrazolyl)methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
IUPAC NAME: methyl 7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 7-methyl-3-oxidanylidene-5-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C22H22N4O3S
MOLECULAR WEIGHT: 422.50008
SMILES: CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3C)C)C)SC2=N1)C4=CC=CC=C4)C(=O)OC
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Product OPENEYE NAME: 1-cyclopentyl-1-(2-furylmethyl)-3-(2-methoxy-4-methyl-phenyl)thiourea
CAS Name: 1-cyclopentyl-1-(2-furanylmethyl)-3-(2-methoxy-4-methylphenyl)thiourea
IUPAC NAME: 1-cyclopentyl-1-(furan-2-ylmethyl)-3-(2-methoxy-4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-cyclopentyl-1-(furan-2-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)thiourea
MOLECULAR FORMULA: C19H24N2O2S
MOLECULAR WEIGHT: 344.47106
SMILES: CC1=CC(=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CCCC3)OC
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Product OPENEYE NAME: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)-1-(4-pyridylmethyl)thiourea
CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(4-methoxy-3-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea
IUPAC NAME: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)-1-(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C21H25N5OS
MOLECULAR WEIGHT: 395.5211
SMILES: CC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3)OC
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Product OPENEYE NAME: 3-cycloheptyl-1-(2-morpholinoethyl)-1-(4-pyridylmethyl)thiourea
CAS Name: 3-cycloheptyl-1-[2-(4-morpholinyl)ethyl]-1-(pyridin-4-ylmethyl)thiourea
IUPAC NAME: 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
SYSTEMATIC NAME: 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
MOLECULAR FORMULA: C20H32N4OS
MOLECULAR WEIGHT: 376.55928
SMILES: C1CCCC(CC1)NC(=S)N(CCN2CCOCC2)CC3=CC=NC=C3
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Product OPENEYE NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
IUPAC NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
SYSTEMATIC NAME: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
MOLECULAR FORMULA: C24H24N2O3S
MOLECULAR WEIGHT: 420.52396
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C
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Product OPENEYE NAME: N-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenyl-acetamide
CAS Name: N-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
IUPAC NAME: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SYSTEMATIC NAME: N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C18H15BrN4O2S2
MOLECULAR WEIGHT: 463.3713
SMILES: C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-methyl-N-[[4-(m-tolyl)-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide
CAS Name: 2-methyl-N-[[4-(3-methylphenyl)-5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide
IUPAC NAME: 2-methyl-N-[[4-(3-methylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide
SYSTEMATIC NAME: 2-methyl-N-[[4-(3-methylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide
MOLECULAR FORMULA: C34H31N7O4S2
MOLECULAR WEIGHT: 665.78444
SMILES: CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=C(C(=CC=C5)[N+](=O)[O-])C)C6=CC=CS6
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Product OPENEYE NAME: 3-(3-nitrophenyl)-1-(o-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
CAS Name: 1-(2-methylphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
IUPAC NAME: 1-(2-methylphenyl)-3-(3-nitrophenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-(3-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=CC=C1N2CC([N+]3=C2SCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O
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Product OPENEYE NAME: N-[[5-isopropylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
CAS Name: N-[[4-(2-methoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide
IUPAC NAME: N-[[4-(2-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[[4-(2-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C24H32N4O2S
MOLECULAR WEIGHT: 440.60148
SMILES: CC(C)SC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone
CAS Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanone
IUPAC NAME: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanone
SYSTEMATIC NAME: 1-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone
MOLECULAR FORMULA: C26H26FNO4
MOLECULAR WEIGHT: 435.487343
SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC
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Product OPENEYE NAME: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one
CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-phenyl-2-propen-1-one
IUPAC NAME: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C20H19N3OS
MOLECULAR WEIGHT: 349.44936
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4
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Product OPENEYE NAME: 7-benzyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one
CAS Name: 1,5-dinitro-7-(phenylmethyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one
IUPAC NAME: 7-benzyl-1,5-dinitro-7-azoniabicyclo[3.3.1]non-2-en-4-one
SYSTEMATIC NAME: 1,5-dinitro-7-(phenylmethyl)-7-azoniabicyclo[3.3.1]non-2-en-4-one
MOLECULAR FORMULA: C15H16N3O5+
MOLECULAR WEIGHT: 318.30464
SMILES: C1C2(C[NH+](CC1(C(=O)C=C2)[N+](=O)[O-])CC3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 7-(4-fluorophenoxy)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
CAS Name: 7-(4-fluorophenoxy)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
IUPAC NAME: 7-(4-fluorophenoxy)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
SYSTEMATIC NAME: 7-(4-fluoranylphenoxy)-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
MOLECULAR FORMULA: C15H17FN3O5+
MOLECULAR WEIGHT: 338.310983
SMILES: C[NH+]1CC2(CC(=CC(C2)(C1)[N+](=O)[O-])OC3=CC=C(C=C3)F)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[5-[(3-hydroxy-2-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate
CAS Name: 3-[5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate
IUPAC NAME: 3-[5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
SYSTEMATIC NAME: 3-[5-[(2-methoxy-3-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
MOLECULAR FORMULA: C14H12NO5S2-
MOLECULAR WEIGHT: 338.37878
SMILES: COC1=C(C=CC=C1O)C=C2C(=O)N(C(=S)S2)CCC(=O)[O-]
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Product OPENEYE NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indolin-2-one
CAS Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-indolone
IUPAC NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one
SYSTEMATIC NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]indol-2-one
MOLECULAR FORMULA: C27H28FN4O+
MOLECULAR WEIGHT: 443.535823
SMILES: CC1=CC(=CC(=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5F)C
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Product OPENEYE NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indolin-2-one
CAS Name: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-2-indolone
IUPAC NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
SYSTEMATIC NAME: 3-(3,5-dimethylphenyl)imino-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
MOLECULAR FORMULA: C27H27FN4O
MOLECULAR WEIGHT: 442.527883
SMILES: CC1=CC(=CC(=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=C5F)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H18N3O5+
MOLECULAR WEIGHT: 368.36332
SMILES: C1C2(C[NH+](CC1(C(=O)C3=CC=CC=C32)[N+](=O)[O-])CC4=CC=CC=C4)[N+](=O)[O-]
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