methyl 4-(benzamidocarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(benzamidocarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(benzamidocarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(benzoylhydrazo)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(benzamidocarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzamidothiocarbamoylamino)-4-keto-butyric acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-20-11(18)8-7-10(17)14-13(21)16-15-12(19)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,19)(H2,14,16,17,21)