N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H17ClFN3O3S MolecularWeight: 457.905083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFN3O3S/c1-30-19-8-3-2-7-16(19)21(29)27-22(31)26-14-6-4-5-13(11-14)20(28)25-15-9-10-18(24)17(23)12-15/h2-12H,1H3,(H,25,28)(H2,26,27,29,31)