3-bromanyl-N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-fluorophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H21BrClFN2O2S MolecularWeight: 487.813343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl)Br

InChI

InChI=1S/C20H21BrClFN2O2S/c1-2-3-4-5-10-27-18-9-6-13(11-15(18)21)19(26)25-20(28)24-14-7-8-17(23)16(22)12-14/h6-9,11-12H,2-5,10H2,1H3,(H2,24,25,26,28)