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

Systemtic Name: propyl 4-oxidanylidene-4-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4S/c1-2-13-29-20(27)12-11-19(26)25-22(30)24-18-10-6-9-17(14-18)21(28)23-15-16-7-4-3-5-8-16/h3-10,14H,2,11-13,15H2,1H3,(H,23,28)(H2,24,25,26,30)