6-(6-methylpyridin-2-yl)-N-[(4-methylthiophen-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(6-methylpyridin-2-yl)-N-[(4-methylthiophen-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(6-methyl-2-pyridyl)-N-[(4-methyl-2-thienyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(6-methyl-2-pyridinyl)-N-[(4-methyl-2-thiophenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(6-methylpyridin-2-yl)-N-[(4-methylthiophen-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(6-methyl-2-pyridyl)-N-[(4-methyl-2-thienyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CS4)C)SC5=CC=CC=C52

Isomeric SMILES

CC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC(=CS4)C)SC5=CC=CC=C52

InChI

InChI=1S/C26H21N3OS2/c1-16-12-19(31-15-16)14-27-26(30)18-10-11-24-22(13-18)29-25(21-8-5-6-17(2)28-21)20-7-3-4-9-23(20)32-24/h3-13,15H,14H2,1-2H3,(H,27,30)