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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-cyclooctyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H29ClN2O2S MolecularWeight: 505.07076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H29ClN2O2S/c30-22-10-8-9-20(17-22)19-32-25-18-21(28(33)31-23-11-4-2-1-3-5-12-23)15-16-27(25)35-26-14-7-6-13-24(26)29(32)34/h6-10,13-18,23H,1-5,11-12,19H2,(H,31,33)