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

Systemtic Name: N-(2-diethylaminoethyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-diethylaminoethyl)-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=CC=CC=C31

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=CC=CC=C31

InChI

InChI=1S/C22H27N3OS/c1-4-18-17-9-7-8-10-20(17)27-21-12-11-16(15-19(21)24-18)22(26)23-13-14-25(5-2)6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,26)