8-bromanyl-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 8-bromanyl-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 8-bromo-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 8-bromo-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 8-bromo-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 8-bromo-2-(2-chlorophenyl)-4-(4-chlorophenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C21H14BrCl2NS MolecularWeight: 463.21756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C=C(NC3=C(S2)C=C(C=C3)Br)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2C=C(NC3=C(S2)C=C(C=C3)Br)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14BrCl2NS/c22-14-7-10-18-21(11-14)26-20(16-3-1-2-4-17(16)24)12-19(25-18)13-5-8-15(23)9-6-13/h1-12,20,25H