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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-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=C2Br)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2Br)C3=NC4=CC=CC=C4O3

InChI

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