methyl 4-[(phenylmethyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: methyl 4-(benzylcarbamothioylamino)butanoate CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamothioylamino)butanoate Traditional Name: 4-(benzylthiocarbamoylamino)butyric acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2S/c1-17-12(16)8-5-9-14-13(18)15-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,14,15,18)