ethyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c1-2-28-20(27)12-11-18(25)24-21(29)23-17-10-6-9-16(14-17)22-19(26)13-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,22,26)(H2,23,24,25,29)