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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

InChI

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