propyl 4-oxidanylidene-4-(phenethylcarbamothioylamino)butanoate

Systemtic Name: propyl 4-oxidanylidene-4-(phenethylcarbamothioylamino)butanoate Openeye Name: propyl 4-oxo-4-(phenethylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(phenethylamino)-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-(phenethylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(phenethylthiocarbamoylamino)butyric acid propyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O3S/c1-2-12-21-15(20)9-8-14(19)18-16(22)17-11-10-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,17,18,19,22)