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

Systemtic Name: methyl 4-oxidanylidene-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(allylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(allylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-3-10-17-15(22)11-6-4-5-7-12(11)18-16(24)19-13(20)8-9-14(21)23-2/h3-7H,1,8-10H2,2H3,(H,17,22)(H2,18,19,20,24)