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

Systemtic Name: methyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: methyl 4-(benzylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzylthiocarbamoylamino)-4-keto-butyric acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-18-12(17)8-7-11(16)15-13(19)14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,15,16,19)