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

Systemtic Name: methyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCO

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCO

InChI

InChI=1S/C15H19N3O5S/c1-23-13(21)7-6-12(20)18-15(24)17-11-5-3-2-4-10(11)14(22)16-8-9-19/h2-5,19H,6-9H2,1H3,(H,16,22)(H2,17,18,20,24)