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

Systemtic Name: propyl 4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoylamino]-4-keto-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)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

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