N-cyclooctyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclooctyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclooctyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclooctyl-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclooctyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H32N2OS/c1-3-9-22-21-16-18(2)12-14-24(21)30-25-15-13-19(17-23(25)28-22)26(29)27-20-10-7-5-4-6-8-11-20/h12-17,20H,3-11H2,1-2H3,(H,27,29)