N-(3-ethoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=N2)C

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=N2)C

InChI

InChI=1S/C21H24N2O2S/c1-4-25-11-5-10-22-21(24)16-7-9-20-18(13-16)23-15(3)17-12-14(2)6-8-19(17)26-20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)