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

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C22H17ClFN3O2S MolecularWeight: 441.905683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFN3O2S/c1-13-4-2-5-14(10-13)21(29)27-22(30)26-16-7-3-6-15(11-16)20(28)25-17-8-9-19(24)18(23)12-17/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)