Product OPENEYE NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone
CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone
IUPAC NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C21H28N3O4S+
MOLECULAR WEIGHT: 418.52972
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C
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Product OPENEYE NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone
CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone
IUPAC NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
MOLECULAR FORMULA: C21H27N3O4S
MOLECULAR WEIGHT: 417.52178
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C12H18N2O2S2
MOLECULAR WEIGHT: 286.41352
SMILES: CCCNC(=S)NC1=C(C(=C(S1)C)C)C(=O)OC
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Product OPENEYE NAME: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15NO6
MOLECULAR WEIGHT: 353.3255
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-2-quinazolin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-(4-quinazolinylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-quinazolin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-quinazolin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C17H19N5OS
MOLECULAR WEIGHT: 341.43066
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NC=NC3=CC=CC=C32
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C14H20N2O3S2
MOLECULAR WEIGHT: 328.4502
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NC[C@@H]2CCCO2)C
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Product OPENEYE NAME: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-difluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H12F2O4
MOLECULAR WEIGHT: 330.282286
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one
CAS Name: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-quinazolinylthio)-1-propanone
IUPAC NAME: (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
SYSTEMATIC NAME: (2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)SC2=NC=NC3=CC=CC=C32
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Product OPENEYE NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: (5-acetyl-2-methoxy-phenyl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester
IUPAC NAME: (5-acetyl-2-methoxyphenyl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (5-ethanoyl-2-methoxy-phenyl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC(=C3)C
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Product OPENEYE NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC(=C3)C
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Product OPENEYE NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one
CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-quinazolinylthio)-1-propanone
IUPAC NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
SYSTEMATIC NAME: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC=NC3=CC=CC=C32
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Product OPENEYE NAME: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C17H18N2O4S2
MOLECULAR WEIGHT: 378.46582
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C
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Product OPENEYE NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3C
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Product OPENEYE NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3C
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Product OPENEYE NAME: [2-(isopropylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(propan-2-ylamino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CC(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2OC1
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Product OPENEYE NAME: 3-(2-quinazolin-4-ylsulfanylacetyl)oxazolidin-2-one
CAS Name: 3-[1-oxo-2-(4-quinazolinylthio)ethyl]-2-oxazolidinone
IUPAC NAME: 3-(2-quinazolin-4-ylsulfanylacetyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-(2-quinazolin-4-ylsulfanylethanoyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H11N3O3S
MOLECULAR WEIGHT: 289.30974
SMILES: C1COC(=O)N1C(=O)CSC2=NC=NC3=CC=CC=C32
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Product OPENEYE NAME: methyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C17H20N2O3S2
MOLECULAR WEIGHT: 364.4823
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)OC)C
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Product OPENEYE NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C20H27N2O4S+
MOLECULAR WEIGHT: 391.50438
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C20H26N2O4S
MOLECULAR WEIGHT: 390.49644
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC
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