5-bromanyl-N-[(3-methylphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-methylphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(m-tolylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-methylanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-methylphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(m-tolylthiocarbamoyl)-2-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=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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