N-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-N-cyclopentyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-N-cyclopentyl-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C26H23ClN2O2S/c27-21-11-5-1-7-18(21)16-29(19-8-2-3-9-19)26(31)17-13-14-24-22(15-17)28-25(30)20-10-4-6-12-23(20)32-24/h1,4-7,10-15,19H,2-3,8-9,16H2,(H,28,30)