N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrN3O2S/c23-16-8-4-7-15(12-16)21-25-18-13-17(9-10-19(18)28-21)24-22(29)26-20(27)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,26,27,29)