N-(3-methylbutyl)-6-(3-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-6-(3-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-6-(3-methyl-2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methylbutyl)-6-(3-methyl-2-pyridinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methylbutyl)-6-(3-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-6-(3-methyl-2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCCC(C)C)SC4=CC=CC=C42

Isomeric SMILES

CC1=C(N=CC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCCC(C)C)SC4=CC=CC=C42

InChI

InChI=1S/C25H25N3OS/c1-16(2)12-14-27-25(29)18-10-11-22-20(15-18)28-24(23-17(3)7-6-13-26-23)19-8-4-5-9-21(19)30-22/h4-11,13,15-16H,12,14H2,1-3H3,(H,27,29)