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

Systemtic Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-(methylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(methylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C14H17N3O4S/c1-15-13(20)9-5-3-4-6-10(9)16-14(22)17-11(18)7-8-12(19)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H2,16,17,18,22)