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

Systemtic Name: propyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H21ClFN3O4S MolecularWeight: 465.925543

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H21ClFN3O4S/c1-2-10-30-19(28)9-8-18(27)26-21(31)25-14-5-3-4-13(11-14)20(29)24-15-6-7-17(23)16(22)12-15/h3-7,11-12H,2,8-10H2,1H3,(H,24,29)(H2,25,26,27,31)