methyl 6-[(diphenylmethyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(diphenylmethyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-(benzhydrylcarbamothioylamino)hexanoate CAS Name: 6-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(benzhydrylcarbamothioylamino)hexanoate Traditional Name: 6-(benzhydrylthiocarbamoylamino)hexanoic acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

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