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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

InChI

InChI=1S/C23H27N3O5S/c27-15-14-24-22(30)18-10-4-5-11-19(18)25-23(32)26-20(28)12-13-21(29)31-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,27H,6,9,12-16H2,(H,24,30)(H2,25,26,28,32)