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

Systemtic Name: N-cyclopentyl-5-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-5-[(4-methylsulfanylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-[[4-(methylthio)phenyl]methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-[(4-methylsulfanylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-6-keto-5-[4-(methylthio)benzyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O2S2/c1-32-21-13-10-18(11-14-21)17-29-23-16-19(26(30)28-20-6-2-3-7-20)12-15-25(23)33-24-9-5-4-8-22(24)27(29)31/h4-5,8-16,20H,2-3,6-7,17H2,1H3,(H,28,30)