2-bromanyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

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