6-oxidanylidene-N-(pyridin-3-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(pyridin-3-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(3-pyridylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(3-pyridinylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(pyridin-3-ylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(3-pyridylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H15N3O2S/c24-19(22-12-13-4-3-9-21-11-13)14-7-8-18-16(10-14)23-20(25)15-5-1-2-6-17(15)26-18/h1-11H,12H2,(H,22,24)(H,23,25)