methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-chlorobenzyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NCC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NCC1=CC=CC=C1Cl

InChI

InChI=1S/C13H15ClN2O3S/c1-19-12(18)7-6-11(17)16-13(20)15-8-9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H2,15,16,17,20)