ethyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-(benzylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(benzylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzylthiocarbamoylamino)-4-keto-butyric acid ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O3S/c1-2-19-13(18)9-8-12(17)16-14(20)15-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,17,20)