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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-homoveratryl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C28H30N2O3S/c1-5-6-22-21-15-18(2)7-11-26(21)34-27-12-9-20(17-23(27)30-22)28(31)29-14-13-19-8-10-24(32-3)25(16-19)33-4/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,29,31)