methyl 6-[[(3-methylphenyl)-(phenylmethyl)carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(3-methylphenyl)-(phenylmethyl)carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[benzyl(m-tolyl)carbamothioyl]amino]hexanoate CAS Name: 6-[[(3-methyl-N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[benzyl-(3-methylphenyl)carbamothioyl]amino]hexanoate Traditional Name: 6-[[benzyl(m-tolyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-18-10-9-13-20(16-18)24(17-19-11-5-3-6-12-19)22(27)23-15-8-4-7-14-21(25)26-2/h3,5-6,9-13,16H,4,7-8,14-15,17H2,1-2H3,(H,23,27)