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

Systemtic Name: 3-bromanyl-N-[(2,3-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(2,3-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=CC=CC(=C2C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C)Br

InChI

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