Product OPENEYE NAME: methyl 5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H23N2O5S+
MOLECULAR WEIGHT: 379.45062
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC
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Product OPENEYE NAME: methyl 5-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H22N2O5S
MOLECULAR WEIGHT: 378.44268
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(O3)C(=O)OC
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate
CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate
MOLECULAR FORMULA: C22H25NO6
MOLECULAR WEIGHT: 399.437
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H20N2O4S
MOLECULAR WEIGHT: 408.4702
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (2S)-N-propyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]propanamide
CAS Name: (2S)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
SYSTEMATIC NAME: (2S)-N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
MOLECULAR FORMULA: C13H18N2O2S
MOLECULAR WEIGHT: 266.35922
SMILES: CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC=CS1
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Product OPENEYE NAME: N-(isopentylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H31N4O4S+
MOLECULAR WEIGHT: 411.53884
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCCC(C)C
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Product OPENEYE NAME: N-(isopentylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(3-methylbutylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H30N4O4S
MOLECULAR WEIGHT: 410.5309
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NCCC(C)C
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Product OPENEYE NAME: [(1R)-2-(allylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: dimethyl-[(1R)-1-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[(1R)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium
SYSTEMATIC NAME: dimethyl-[(1R)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium
MOLECULAR FORMULA: C14H22N3S+
MOLECULAR WEIGHT: 264.40958
SMILES: C[NH+](C)[C@@H](CNC(=S)NCC=C)C1=CC=CC=C1
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Product OPENEYE NAME: 1-allyl-3-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
CAS Name: 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-prop-2-enylthiourea
IUPAC NAME: 1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C14H21N3S
MOLECULAR WEIGHT: 263.40164
SMILES: CN(C)[C@@H](CNC(=S)NCC=C)C1=CC=CC=C1
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Product OPENEYE NAME: (2S)-N-(methylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C16H25N4O4S+
MOLECULAR WEIGHT: 369.4591
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: (2S)-N-(methylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide
CAS Name: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C16H24N4O4S
MOLECULAR WEIGHT: 368.45116
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: (2R)-2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H21BrN2O2
MOLECULAR WEIGHT: 353.25414
SMILES: CCCNC(=O)[C@@H](C)NC(=O)/C=C/C1=C(C=C(C=C1)C)Br
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Product OPENEYE NAME: [(1S)-2-(allylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: dimethyl-[(1S)-1-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ethyl]ammonium
IUPAC NAME: dimethyl-[(1S)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium
SYSTEMATIC NAME: dimethyl-[(1S)-1-phenyl-2-(prop-2-enylcarbamothioylamino)ethyl]azanium
MOLECULAR FORMULA: C14H22N3S+
MOLECULAR WEIGHT: 264.40958
SMILES: C[NH+](C)[C@H](CNC(=S)NCC=C)C1=CC=CC=C1
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Product OPENEYE NAME: 1-allyl-3-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
CAS Name: 1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-prop-2-enylthiourea
IUPAC NAME: 1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C14H21N3S
MOLECULAR WEIGHT: 263.40164
SMILES: CN(C)[C@H](CNC(=S)NCC=C)C1=CC=CC=C1
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Product OPENEYE NAME: (2R)-N-(methylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C16H25N4O4S+
MOLECULAR WEIGHT: 369.4591
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: (2R)-N-(methylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide
CAS Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C16H24N4O4S
MOLECULAR WEIGHT: 368.45116
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H20N2O4S
MOLECULAR WEIGHT: 408.4702
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1R)-2-[(4-chlorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1R)-2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1R)-2-[(4-chlorophenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1R)-2-[(4-chlorophenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C17H21ClN3S+
MOLECULAR WEIGHT: 334.88674
SMILES: C[NH+](C)[C@@H](CNC(=S)NC1=CC=C(C=C1)Cl)C2=CC=CC=C2
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
CAS Name: 1-(4-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
MOLECULAR FORMULA: C17H20ClN3S
MOLECULAR WEIGHT: 333.8788
SMILES: CN(C)[C@@H](CNC(=S)NC1=CC=C(C=C1)Cl)C2=CC=CC=C2
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Product OPENEYE NAME: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(4-propanoylphenoxy)acetate
CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester
IUPAC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-propanoylphenoxy)acetate
SYSTEMATIC NAME: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-propanoylphenoxy)ethanoate
MOLECULAR FORMULA: C22H20FNO5
MOLECULAR WEIGHT: 397.396303
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(4-methylcyclohexyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N3O3S+
MOLECULAR WEIGHT: 394.55138
SMILES: CC1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-(4-methylcyclohexyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: CC1CCC(CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20N2O5S
MOLECULAR WEIGHT: 412.4589
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC4=CC=CC=C4OC3)C(=O)N
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