methyl 4-[[(3-methylphenyl)-(phenylmethyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(3-methylphenyl)-(phenylmethyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[benzyl(m-tolyl)carbamothioyl]amino]butanoate CAS Name: 4-[[(3-methyl-N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[benzyl-(3-methylphenyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[benzyl(m-tolyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H24N2O2S/c1-16-8-6-11-18(14-16)22(15-17-9-4-3-5-10-17)20(25)21-13-7-12-19(23)24-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,21,25)