3-bromanyl-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrN3O2S/c1-13-5-2-3-8-17(13)21-25-18-12-16(9-10-19(18)28-21)24-22(29)26-20(27)14-6-4-7-15(23)11-14/h2-12H,1H3,(H2,24,26,27,29)