8-chloranyl-N-cyclooctyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-cyclooctyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-cyclooctyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-cyclooctyl-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-cyclooctyl-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-cyclooctyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H27ClN2OS MolecularWeight: 427.00198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2OS/c1-2-20-19-15-17(25)11-13-22(19)29-23-12-10-16(14-21(23)27-20)24(28)26-18-8-6-4-3-5-7-9-18/h10-15,18H,2-9H2,1H3,(H,26,28)