N-piperidin-1-yl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-piperidin-1-yl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1-piperidyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1-piperidinyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-piperidin-1-yl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-piperidino-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NN3CCCCC3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NN3CCCCC3)SC4=CC=CC=C41

InChI

InChI=1S/C22H25N3OS/c1-2-8-18-17-9-4-5-10-20(17)27-21-12-11-16(15-19(21)23-18)22(26)24-25-13-6-3-7-14-25/h4-5,9-12,15H,2-3,6-8,13-14H2,1H3,(H,24,26)