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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

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