3-bromanyl-N-[(3-methylphenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-methylphenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-(m-tolylcarbamothioyl)-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(3-methylanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(3-methylphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-(m-tolylthiocarbamoyl)-4-phenethyloxy-benzamide Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O2S/c1-16-6-5-9-19(14-16)25-23(29)26-22(27)18-10-11-21(20(24)15-18)28-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H2,25,26,27,29)