6-chloranyl-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-chloranyl-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-chloro-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-chloro-N-(2-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-chloro-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-chloro-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H14ClN3OS MolecularWeight: 379.86266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CC=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C20H14ClN3OS/c21-19-15-6-1-2-7-17(15)26-18-9-8-13(11-16(18)24-19)20(25)23-12-14-5-3-4-10-22-14/h1-11H,12H2,(H,23,25)