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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCSC3CCCCC3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCSC3CCCCC3)SC4=CC=CC=C41

InChI

InChI=1S/C26H32N2OS2/c1-2-9-22-21-12-6-7-13-24(21)31-25-15-14-19(18-23(25)28-22)26(29)27-16-8-17-30-20-10-4-3-5-11-20/h6-7,12-15,18,20H,2-5,8-11,16-17H2,1H3,(H,27,29)