4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoic acid

Systemtic Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoic acid Openeye Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzamide; 2-methylsulfanylbutanoic acid CAS Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-(methylthio)butanoic acid IUPAC Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfanylbutanoic acid Traditional Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzamide; 2-(methylthio)butyric acid Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC.CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)N

Isomeric SMILES

CCC(C(=O)O)SC.CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)N

InChI

InChI=1S/C24H32N2O.C5H10O2S/c1-18-8-6-7-11-21(18)23-16-20(12-13-22(23)24(25)27)17-26(2)15-14-19-9-4-3-5-10-19;1-3-4(8-2)5(6)7/h6-8,11-13,16,19H,3-5,9-10,14-15,17H2,1-2H3,(H2,25,27);4H,3H2,1-2H3,(H,6,7)