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

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C22H16ClFIN3O2S MolecularWeight: 567.802213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClFIN3O2S/c1-12-5-6-14(10-19(12)25)21(30)28-22(31)27-15-4-2-3-13(9-15)20(29)26-16-7-8-18(24)17(23)11-16/h2-11H,1H3,(H,26,29)(H2,27,28,30,31)