methyl 6-[[(4-methylphenyl)-(phenylmethyl)carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(4-methylphenyl)-(phenylmethyl)carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[benzyl(p-tolyl)carbamothioyl]amino]hexanoate CAS Name: 6-[[(4-methyl-N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[benzyl-(4-methylphenyl)carbamothioyl]amino]hexanoate Traditional Name: 6-[[benzyl(p-tolyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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