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

Systemtic Name: propyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-2-12-26-16(24)9-8-15(23)21-18(27)20-14-7-4-3-6-13(14)17(25)19-10-5-11-22/h3-4,6-7,22H,2,5,8-12H2,1H3,(H,19,25)(H2,20,21,23,27)