methyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H17ClFN3O4S MolecularWeight: 485.915183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C23H17ClFN3O4S/c1-32-22(31)14-7-5-13(6-8-14)20(29)28-23(33)27-16-4-2-3-15(11-16)21(30)26-17-9-10-19(25)18(24)12-17/h2-12H,1H3,(H,26,30)(H2,27,28,29,33)