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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-homoveratryl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C14

InChI

InChI=1S/C25H24N2O3S/c1-16-19-6-4-5-7-23(19)31-24-11-9-18(15-20(24)27-16)25(28)26-13-12-17-8-10-21(29-2)22(14-17)30-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)