methyl 4-oxidanylidene-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[2-(phenethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoylamino]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=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

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