methyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-24-14(22)8-7-13(21)19-16(25)18-12-6-3-2-5-11(12)15(23)17-9-4-10-20/h2-3,5-6,20H,4,7-10H2,1H3,(H,17,23)(H2,18,19,21,25)