2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2-propylaniline

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2-propylaniline Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; 2-propylaniline CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 2-propylaniline IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; 2-propylaniline Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; (2-propylphenyl)amine Formula: C29H36N2O3S MolecularWeight: 492.67274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1N.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCC1=CC=CC=C1N.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C20H23NO3S.C9H13N/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-2-5-8-6-3-4-7-9(8)10/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);3-4,6-7H,2,5,10H2,1H3