N-(3-ethoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

InChI

InChI=1S/C22H26N2O2S/c1-5-26-12-6-11-23-22(25)17-9-10-19-18(13-17)24-16(4)20-14(2)7-8-15(3)21(20)27-19/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,25)