N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidino)propyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CC(CC(C3)C)C)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CC(CC(C3)C)C)SC4=CC=CC=C41

InChI

InChI=1S/C26H33N3OS/c1-4-22-21-8-5-6-9-24(21)31-25-11-10-20(15-23(25)28-22)26(30)27-12-7-13-29-16-18(2)14-19(3)17-29/h5-6,8-11,15,18-19H,4,7,12-14,16-17H2,1-3H3,(H,27,30)