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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-bromo-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-bromobenzamide Traditional Name: N-[[3-(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=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4O3

InChI

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