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

Systemtic Name: propyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-phenetylthiocarbamoylamino)butyric acid propyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC

InChI

InChI=1S/C16H22N2O4S/c1-3-10-22-15(20)9-8-14(19)18-16(23)17-12-6-5-7-13(11-12)21-4-2/h5-7,11H,3-4,8-10H2,1-2H3,(H2,17,18,19,23)