5-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-methylsulfanylphenyl)methyl]-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[[4-(methylthio)phenyl]methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-methylsulfanylphenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-[4-(methylthio)benzyl]-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H26N2O2S2 MolecularWeight: 510.66964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H26N2O2S2/c1-35-24-14-11-22(12-15-24)20-32-26-19-23(29(33)31-18-17-21-7-3-2-4-8-21)13-16-28(26)36-27-10-6-5-9-25(27)30(32)34/h2-16,19H,17-18,20H2,1H3,(H,31,33)