propyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-[(3-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-allyloxyphenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-3-10-22-14-7-5-6-13(12-14)18-17(24)19-15(20)8-9-16(21)23-11-4-2/h3,5-7,12H,1,4,8-11H2,2H3,(H2,18,19,20,24)