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

Systemtic Name: 8-chloranyl-6-ethyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-[3-(propylthio)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-ethyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethyl-N-[3-(propylthio)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25ClN2OS2 MolecularWeight: 433.0297

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=N2)CC

Isomeric SMILES

CCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=N2)CC

InChI

InChI=1S/C22H25ClN2OS2/c1-3-11-27-12-5-10-24-22(26)15-6-8-21-19(13-15)25-18(4-2)17-14-16(23)7-9-20(17)28-21/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,24,26)