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

Systemtic Name: propyl 4-oxidanylidene-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-2-16-30-21(28)13-12-20(27)26-23(31)25-19-11-7-6-10-18(19)22(29)24-15-14-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,24,29)(H2,25,26,27,31)