N-[2-(4-methylsulfanylphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-[2-[4-(methylthio)phenyl]ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H20N2O2S2/c1-28-17-9-6-15(7-10-17)12-13-24-22(26)16-8-11-21-19(14-16)25-23(27)18-4-2-3-5-20(18)29-21/h2-11,14H,12-13H2,1H3,(H,24,26)(H,25,27)