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

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-p-phenetylethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-3-7-23-22-8-5-6-9-25(22)32-26-15-12-20(18-24(26)29-23)27(30)28-17-16-19-10-13-21(14-11-19)31-4-2/h5-6,8-15,18H,3-4,7,16-17H2,1-2H3,(H,28,30)