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

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(2-p-phenetylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-4-23-22-16-18(3)6-12-25(22)32-26-13-9-20(17-24(26)29-23)27(30)28-15-14-19-7-10-21(11-8-19)31-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,30)