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

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

Systemtic Name:6-ethyl-8-methyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide
Openeye Name:6-ethyl-8-methyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CAS Name:6-ethyl-8-methyl-N-[3-(propylthio)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide
IUPAC Name:6-ethyl-8-methyl-N-(3-propylsulfanylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide
Traditional Name:6-ethyl-8-methyl-N-[3-(propylthio)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide
Formula: C23H28N2OS2
MolecularWeight: 412.61122
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H28N2OS2/c1-4-12-27-13-6-11-24-23(26)17-8-10-22-20(15-17)25-19(5-2)18-14-16(3)7-9-21(18)28-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,24,26)


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