6,8-dimethyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,8-dimethyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,8-dimethyl-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,8-dimethyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,8-dimethyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,8-dimethyl-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H19N3OS MolecularWeight: 373.47076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)N=C2C

InChI

InChI=1S/C22H19N3OS/c1-14-5-7-20-18(10-14)15(2)25-19-11-17(6-8-21(19)27-20)22(26)24-13-16-4-3-9-23-12-16/h3-12H,13H2,1-2H3,(H,24,26)