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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

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