methyl 6-[[2-(phenylmethyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(phenylmethyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-benzylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-benzylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-benzylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC=C1CC2=CC=CC=C2

InChI

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