methyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(dimethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C15H19N3O4S/c1-18(2)14(21)10-5-4-6-11(9-10)16-15(23)17-12(19)7-8-13(20)22-3/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19,23)