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

Systemtic Name: propyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-cyanoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-cyanophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-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=C(C=C1)C#N

Isomeric SMILES

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

InChI

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