Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-(2-indolin-1-yl-2-oxo-ethyl)piperazine-1,4-diium-1-yl]acetamide
CAS Name: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C24H32N4O2+2
MOLECULAR WEIGHT: 408.53648
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C43
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-(2-indolin-1-yl-2-oxo-ethyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C24H30N4O2
MOLECULAR WEIGHT: 406.5206
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N3CCC4=CC=CC=C43
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Product OPENEYE NAME: 2-(benzylamino)-N-(4-fluorophenyl)-5-nitro-benzamide
CAS Name: N-(4-fluorophenyl)-5-nitro-2-[(phenylmethyl)amino]benzamide
IUPAC NAME: 2-(benzylamino)-N-(4-fluorophenyl)-5-nitrobenzamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-nitro-2-[(phenylmethyl)amino]benzamide
MOLECULAR FORMULA: C20H16FN3O3
MOLECULAR WEIGHT: 365.357743
SMILES: C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(2-methylallyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C16H26N2S
MOLECULAR WEIGHT: 278.45604
SMILES: CC(=C)CNC(=S)NCC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 4-tert-butyl-N-[3-(4-fluoroanilino)-3-oxo-propyl]benzamide
CAS Name: 4-tert-butyl-N-[3-(4-fluoroanilino)-3-oxopropyl]benzamide
IUPAC NAME: 4-tert-butyl-N-[3-(4-fluoroanilino)-3-oxopropyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C20H23FN2O2
MOLECULAR WEIGHT: 342.407223
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-[(methylthio)methyl]benzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfanylmethyl)benzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfanylmethyl)benzamide
MOLECULAR FORMULA: C18H20FNOS2
MOLECULAR WEIGHT: 349.485903
SMILES: CSCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 3-(methylsulfamoyl)benzoate
CAS Name: 3-(methylsulfamoyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(methylsulfamoyl)benzoate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(methylsulfamoyl)benzoate
MOLECULAR FORMULA: C16H14N2O5S2
MOLECULAR WEIGHT: 378.42276
SMILES: CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3
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Product OPENEYE NAME: N-(4-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CAS Name: N-(4-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanamide
IUPAC NAME: N-(4-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
MOLECULAR FORMULA: C19H19FN2O3
MOLECULAR WEIGHT: 342.364163
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C25H34N4O2+2
MOLECULAR WEIGHT: 422.56306
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H32N4O2
MOLECULAR WEIGHT: 420.54718
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)CN3CCN(CC3)CC(=O)NC4=C(C=CC=C4C)C
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Product OPENEYE NAME: [(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC1=C(C=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methylcyclohexyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)ethanamide
MOLECULAR FORMULA: C21H34N3O3S+
MOLECULAR WEIGHT: 408.57796
SMILES: CC1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(4-methylcyclohexyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylcyclohexyl)ethanamide
MOLECULAR FORMULA: C21H33N3O3S
MOLECULAR WEIGHT: 407.57002
SMILES: CC1CCC(CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(2-fluorophenyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-(2-fluorophenyl)thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(2-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(2-fluorophenyl)thiourea
MOLECULAR FORMULA: C18H23FN2S
MOLECULAR WEIGHT: 318.452023
SMILES: C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC=CC=C4F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C25H34N4O2+2
MOLECULAR WEIGHT: 422.56306
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H32N4O2
MOLECULAR WEIGHT: 420.54718
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CN3CCN(CC3)CC(=O)NC4=C(C=CC=C4C)C
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfonylmethyl)benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(methylsulfonylmethyl)benzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfonylmethyl)benzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(methylsulfonylmethyl)benzamide
MOLECULAR FORMULA: C18H20FNO3S2
MOLECULAR WEIGHT: 381.484703
SMILES: CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfamoyl)benzoate
CAS Name: 3-(methylsulfamoyl)benzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfamoyl)benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-(methylsulfamoyl)benzoate
MOLECULAR FORMULA: C20H20N2O6S
MOLECULAR WEIGHT: 416.4476
SMILES: CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C15H24N3O3S+
MOLECULAR WEIGHT: 326.43436
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)N
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Product OPENEYE NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C15H23N3O3S
MOLECULAR WEIGHT: 325.42642
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)N
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