propyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-cyanophenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C#N

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C#N

InChI

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