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

Systemtic Name: N-cyclooctyl-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-cyclooctyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-N-cyclooctyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H30N2O2S MolecularWeight: 470.6257

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O2S/c32-28(30-23-13-7-2-1-3-8-14-23)22-17-18-27-25(19-22)31(20-21-11-5-4-6-12-21)29(33)24-15-9-10-16-26(24)34-27/h4-6,9-12,15-19,23H,1-3,7-8,13-14,20H2,(H,30,32)