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

Systemtic Name: methyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17ClFN3O4S MolecularWeight: 437.872383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClFN3O4S/c1-28-17(26)8-7-16(25)24-19(29)23-12-4-2-3-11(9-12)18(27)22-13-5-6-15(21)14(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,22,27)(H2,23,24,25,29)