5-bromanyl-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]nicotinamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O2S/c1-13-5-2-3-8-18(13)20(28)24-16-6-4-7-17(10-16)25-21(29)26-19(27)14-9-15(22)12-23-11-14/h2-12H,1H3,(H,24,28)(H2,25,26,27,29)