2-bromanyl-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H18BrN3O2S/c1-14-6-4-8-16(12-14)24-20(27)15-7-5-9-17(13-15)25-22(29)26-21(28)18-10-2-3-11-19(18)23/h2-13H,1H3,(H,24,27)(H2,25,26,28,29)