ethyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[2-(allylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(allylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC=C

InChI

InChI=1S/C17H21N3O4S/c1-3-11-18-16(23)12-7-5-6-8-13(12)19-17(25)20-14(21)9-10-15(22)24-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,18,23)(H2,19,20,21,25)