methyl 6-[bis(phenylmethyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[bis(phenylmethyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-(dibenzylcarbamothioylamino)hexanoate CAS Name: 6-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(dibenzylcarbamothioylamino)hexanoate Traditional Name: 6-(dibenzylthiocarbamoylamino)hexanoic acid methyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-26-21(25)15-9-4-10-16-23-22(27)24(17-19-11-5-2-6-12-19)18-20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,23,27)