Product OPENEYE NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)OC
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-diisopropyl-ammonium
CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C17H28N3O2S+
MOLECULAR WEIGHT: 338.48812
SMILES: CC(C)[NH+](CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(diisopropylamino)ethyl]thiourea
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
MOLECULAR FORMULA: C17H27N3O2S
MOLECULAR WEIGHT: 337.48018
SMILES: CC(C)N(CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C
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Product OPENEYE NAME: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 3-(cyclopropylsulfamoyl)-4-methoxy-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C17H25N3O5S
MOLECULAR WEIGHT: 383.4625
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2CC2
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Product OPENEYE NAME: (2R)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
SYSTEMATIC NAME: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
MOLECULAR FORMULA: C17H20N3O2S+
MOLECULAR WEIGHT: 330.4246
SMILES: C[C@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: (2R)-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]propanenitrile
IUPAC NAME: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanenitrile
SYSTEMATIC NAME: (2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanenitrile
MOLECULAR FORMULA: C17H19N3O2S
MOLECULAR WEIGHT: 329.41666
SMILES: C[C@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C24H27NO6
MOLECULAR WEIGHT: 425.47428
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O)OC
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Product OPENEYE NAME: diisopropyl-[2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl]ammonium
CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methylcarbamothioylamino]ethyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C17H30N3OS+
MOLECULAR WEIGHT: 324.5046
SMILES: CC(C)[NH+](CCNC(=S)NCC1=CC=C(C=C1)OC)C(C)C
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Product OPENEYE NAME: 1-[2-(diisopropylamino)ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CAS Name: 1-[2-[di(propan-2-yl)amino]ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
IUPAC NAME: 1-[2-[di(propan-2-yl)amino]ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[2-[di(propan-2-yl)amino]ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C17H29N3OS
MOLECULAR WEIGHT: 323.49666
SMILES: CC(C)N(CCNC(=S)NCC1=CC=C(C=C1)OC)C(C)C
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Product OPENEYE NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C20H27N4O4S+
MOLECULAR WEIGHT: 419.51778
SMILES: CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C20H26N4O4S
MOLECULAR WEIGHT: 418.50984
SMILES: CCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C21H29N3O5
MOLECULAR WEIGHT: 403.47206
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=C(N(N=C2C)C)C)OC
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Product OPENEYE NAME: (2S)-2-[[2-[methyl(2-naphthylsulfonyl)amino]acetyl]amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[2-[methyl(2-naphthalenylsulfonyl)amino]-1-oxoethyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[2-[methyl(naphthalen-2-ylsulfonyl)amino]ethanoylamino]-N-propyl-propanamide
MOLECULAR FORMULA: C19H25N3O4S
MOLECULAR WEIGHT: 391.4845
SMILES: CCCNC(=O)[C@H](C)NC(=O)CN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]ethyl-diisopropyl-ammonium
CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C15H24ClN4O2S+
MOLECULAR WEIGHT: 359.89466
SMILES: CC(C)[NH+](CCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)C
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Product OPENEYE NAME: 1-(2-chloro-5-nitro-phenyl)-3-[2-(diisopropylamino)ethyl]thiourea
CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
IUPAC NAME: 1-(2-chloro-5-nitrophenyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-[di(propan-2-yl)amino]ethyl]thiourea
MOLECULAR FORMULA: C15H23ClN4O2S
MOLECULAR WEIGHT: 358.88672
SMILES: CC(C)N(CCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(C)C
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Product OPENEYE NAME: N-(cyclopropylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(cyclopropylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SYSTEMATIC NAME: N-(cyclopropylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide
MOLECULAR FORMULA: C20H25N4O4S+
MOLECULAR WEIGHT: 417.5019
SMILES: C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: N-(cyclopropylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]acetamide
IUPAC NAME: N-(cyclopropylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SYSTEMATIC NAME: N-(cyclopropylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanamide
MOLECULAR FORMULA: C20H24N4O4S
MOLECULAR WEIGHT: 416.49396
SMILES: C1CC1NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: methyl N-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]carbamate
MOLECULAR FORMULA: C18H22N3O5S+
MOLECULAR WEIGHT: 392.44938
SMILES: COC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: methyl N-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanoyl]carbamate
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: COC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 3-fluoro-4-methoxy-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 3-fluoro-4-methoxy-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 3-fluoro-4-methoxy-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 3-fluoranyl-4-methoxy-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C14H19FN2O3
MOLECULAR WEIGHT: 282.310663
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC(=C(C=C1)OC)F
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Product OPENEYE NAME: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16FNO4
MOLECULAR WEIGHT: 341.333043
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-butoxy-3-methoxy-benzoate
CAS Name: 4-butoxy-3-methoxybenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-methoxybenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-butoxy-3-methoxy-benzoate
MOLECULAR FORMULA: C21H29N3O5
MOLECULAR WEIGHT: 403.47206
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C)OC
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Product OPENEYE NAME: 3-fluoro-4-methoxy-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 3-fluoro-4-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 3-fluoro-4-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 3-fluoranyl-4-methoxy-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C14H19FN2O3
MOLECULAR WEIGHT: 282.310663
SMILES: CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)OC)F
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