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

Systemtic Name: propyl 4-oxidanylidene-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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