3-bromanyl-N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(2,5-dimethylphenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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