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

Systemtic Name: 5-bromanyl-N-[(3,4-dimethylphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3,4-dimethylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3,4-dimethylphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C24H23BrN2O2S MolecularWeight: 483.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H23BrN2O2S/c1-16-8-10-20(14-17(16)2)26-24(30)27-23(28)21-15-19(25)9-11-22(21)29-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H2,26,27,28,30)