N-(2-cyclopentylsulfanylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N2O2S2/c24-20-11-12-26-18-10-9-14(13-17(18)22-20)21(25)23-16-7-3-4-8-19(16)27-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,22,24)(H,23,25)