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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2OS2/c1-3-6-22-21-7-4-5-8-24(21)31-25-14-11-19(17-23(25)28-22)26(29)27-16-15-18-9-12-20(30-2)13-10-18/h4-5,7-14,17H,3,6,15-16H2,1-2H3,(H,27,29)