5-bromanyl-N-[(3,5-dimethylphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3,5-dimethylphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(3,5-dimethylphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2S/c1-4-5-6-7-10-27-20-9-8-17(23)14-19(20)21(26)25-22(28)24-18-12-15(2)11-16(3)13-18/h8-9,11-14H,4-7,10H2,1-3H3,(H2,24,25,26,28)