N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C21H14BrClN2OS2 MolecularWeight: 489.83566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14BrClN2OS2/c22-13-5-10-17(24-20(26)12-27-15-8-6-14(23)7-9-15)16(11-13)21-25-18-3-1-2-4-19(18)28-21/h1-11H,12H2,(H,24,26)