N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=C(C=CC(=C3)OC)OC)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=C(C=CC(=C3)OC)OC)SC4=CC=CC=C41

InChI

InChI=1S/C27H28N2O3S/c1-4-7-22-21-8-5-6-9-25(21)33-26-13-10-19(17-23(26)29-22)27(30)28-15-14-18-16-20(31-2)11-12-24(18)32-3/h5-6,8-13,16-17H,4,7,14-15H2,1-3H3,(H,28,30)