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

Systemtic Name: 6-ethyl-8-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[2-[4-(methylthio)phenyl]ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-[2-[4-(methylthio)phenyl]ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2OS2 MolecularWeight: 446.62744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2OS2/c1-4-22-21-15-17(2)5-11-24(21)31-25-12-8-19(16-23(25)28-22)26(29)27-14-13-18-6-9-20(30-3)10-7-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,29)