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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-homoveratryl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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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=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C27H28N2O3S/c1-5-21-20-14-17(2)6-10-25(20)33-26-11-8-19(16-22(26)29-21)27(30)28-13-12-18-7-9-23(31-3)24(15-18)32-4/h6-11,14-16H,5,12-13H2,1-4H3,(H,28,30)