propyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

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