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

Systemtic Name: 6-(2-methylpropyl)-N-piperidin-1-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-isobutyl-N-(1-piperidyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(2-methylpropyl)-N-(1-piperidinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(2-methylpropyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-isobutyl-N-piperidino-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C=CC(=C2)C(=O)NN3CCCCC3)SC4=CC=CC=C41

Isomeric SMILES

CC(C)CC1=NC2=C(C=CC(=C2)C(=O)NN3CCCCC3)SC4=CC=CC=C41

InChI

InChI=1S/C23H27N3OS/c1-16(2)14-19-18-8-4-5-9-21(18)28-22-11-10-17(15-20(22)24-19)23(27)25-26-12-6-3-7-13-26/h4-5,8-11,15-16H,3,6-7,12-14H2,1-2H3,(H,25,27)