propyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C15H17N3O3S/c1-2-8-21-14(20)7-6-13(19)18-15(22)17-12-5-3-4-11(9-12)10-16/h3-5,9H,2,6-8H2,1H3,(H2,17,18,19,22)