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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H17BrClN3O2S MolecularWeight: 502.81128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C22H17BrClN3O2S/c1-13-5-2-3-8-17(13)20(28)25-15-6-4-7-16(12-15)26-22(30)27-21(29)18-11-14(23)9-10-19(18)24/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)