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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-homoveratryl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C41

InChI

InChI=1S/C26H26N2O3S/c1-4-20-19-7-5-6-8-24(19)32-25-12-10-18(16-21(25)28-20)26(29)27-14-13-17-9-11-22(30-2)23(15-17)31-3/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,29)