propyl 4-oxidanylidene-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(1-phenylethylcarbamoyl)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(=C1)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-3-14-30-21(28)13-12-20(27)26-23(31)25-19-11-7-10-18(15-19)22(29)24-16(2)17-8-5-4-6-9-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,24,29)(H2,25,26,27,31)