methyl 6-[[phenyl-(phenylmethyl)carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[phenyl-(phenylmethyl)carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[benzyl(phenyl)carbamothioyl]amino]hexanoate CAS Name: 6-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[benzyl(phenyl)carbamothioyl]amino]hexanoate Traditional Name: 6-[[benzyl(phenyl)thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-25-20(24)15-9-4-10-16-22-21(26)23(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3,(H,22,26)