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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H32N2OS2 MolecularWeight: 452.67508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCSC3CCCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCSC3CCCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H32N2OS2/c1-3-22-21-16-18(2)10-12-24(21)31-25-13-11-19(17-23(25)28-22)26(29)27-14-7-15-30-20-8-5-4-6-9-20/h10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,27,29)