N-(2-diethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-diethylaminoethyl)-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C23H29N3OS/c1-5-19-18-14-16(4)8-10-21(18)28-22-11-9-17(15-20(22)25-19)23(27)24-12-13-26(6-2)7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,27)