6-ethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[2-(1-pyrrolidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-(2-pyrrolidinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCCC3)SC4=CC=CC=C41

InChI

InChI=1S/C22H25N3OS/c1-2-18-17-7-3-4-8-20(17)27-21-10-9-16(15-19(21)24-18)22(26)23-11-14-25-12-5-6-13-25/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,26)