N-[3-(2-ethylpiperidin-1-yl)propyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(2-ethylpiperidin-1-yl)propyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(2-ethyl-1-piperidyl)propyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(2-ethyl-1-piperidinyl)propyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(2-ethylpiperidin-1-yl)propyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(2-ethylpiperidino)propyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H37N3OS MolecularWeight: 463.67788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCCCC3CC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCCCC3CC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C28H37N3OS/c1-4-9-24-23-18-20(3)11-13-26(23)33-27-14-12-21(19-25(27)30-24)28(32)29-15-8-17-31-16-7-6-10-22(31)5-2/h11-14,18-19,22H,4-10,15-17H2,1-3H3,(H,29,32)