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

Systemtic Name: 8-chloranyl-6-methyl-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methyl-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methyl-N-(2-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-methyl-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-methyl-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=N3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3OS/c1-13-17-11-15(22)6-8-19(17)27-20-7-5-14(10-18(20)25-13)21(26)24-12-16-4-2-3-9-23-16/h2-11H,12H2,1H3,(H,24,26)