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

Systemtic Name: 6-ethyl-8-methyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C23H21N3OS/c1-3-19-18-11-15(2)6-8-21(18)28-22-9-7-17(12-20(22)26-19)23(27)25-14-16-5-4-10-24-13-16/h4-13H,3,14H2,1-2H3,(H,25,27)