N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-bromo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-bromo-benzamide Formula: C22H17BrN2OS2 MolecularWeight: 469.41718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17BrN2OS2/c23-15-9-3-1-7-13(15)20(26)25-22-19(14-8-2-5-11-17(14)27-22)21-24-16-10-4-6-12-18(16)28-21/h1,3-4,6-7,9-10,12H,2,5,8,11H2,(H,25,26)