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

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-28-20(27)13-12-19(26)24-21(29)23-17-9-5-8-16(14-17)22-18(25)11-10-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,22,25)(H2,23,24,26,29)