4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate

Systemtic Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate Openeye Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzamide; 2-methylsulfanylbutanoate CAS Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-(methylthio)butanoate IUPAC Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoate Traditional Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzamide; 2-(methylthio)butyrate Formula: C32H47N2O3S- MolecularWeight: 539.79218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)N)C3=CC=CC=C3C.CCC(C(=O)[O-])SC

Isomeric SMILES

CCCCN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)N)C3=CC=CC=C3C.CCC(C(=O)[O-])SC

InChI

InChI=1S/C27H38N2O.C5H10O2S/c1-3-4-17-29(18-16-22-11-6-5-7-12-22)20-23-14-15-25(27(28)30)26(19-23)24-13-9-8-10-21(24)2;1-3-4(8-2)5(6)7/h8-10,13-15,19,22H,3-7,11-12,16-18,20H2,1-2H3,(H2,28,30);4H,3H2,1-2H3,(H,6,7)/p-1