6-oxidanylidene-N-(3-propylsulfanylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(3-propylsulfanylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(3-propylsulfanylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-[3-(propylthio)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(3-propylsulfanylpropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(propylthio)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H22N2O2S2/c1-2-11-25-12-5-10-21-19(23)14-8-9-18-16(13-14)22-20(24)15-6-3-4-7-17(15)26-18/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,21,23)(H,22,24)