8-bromanyl-N-cycloheptyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-cycloheptyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-cycloheptyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-cycloheptyl-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-cycloheptyl-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-cycloheptyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H25BrN2OS MolecularWeight: 457.4264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCC3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCCC3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2OS/c1-2-19-18-14-16(24)10-12-21(18)28-22-11-9-15(13-20(22)26-19)23(27)25-17-7-5-3-4-6-8-17/h9-14,17H,2-8H2,1H3,(H,25,27)