ethyl 4-oxidanylidene-4-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-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=C1C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2

InChI

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