5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H24BrClN2O2S MolecularWeight: 483.84946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrClN2O2S/c1-3-4-5-6-12-27-19-11-10-15(22)13-16(19)20(26)25-21(28)24-18-9-7-8-17(23)14(18)2/h7-11,13H,3-6,12H2,1-2H3,(H2,24,25,26,28)