N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H15BrClN3O2S2 MolecularWeight: 532.8604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H15BrClN3O2S2/c23-14-3-1-13(2-4-14)21-26-18-11-16(7-10-19(18)29-21)25-22(30)27-20(28)12-31-17-8-5-15(24)6-9-17/h1-11H,12H2,(H2,25,27,28,30)