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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-6-keto-N-(3-methoxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H23ClN2O3S/c1-31-13-5-12-27-24(29)18-10-11-23-21(15-18)28(16-17-6-4-7-19(26)14-17)25(30)20-8-2-3-9-22(20)32-23/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,27,29)