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

Systemtic Name: 8-bromanyl-6-ethyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(4-methylcyclohexyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(4-methylcyclohexyl)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)NC3CCC(CC3)C)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2OS/c1-3-19-18-13-16(24)7-11-21(18)28-22-10-6-15(12-20(22)26-19)23(27)25-17-8-4-14(2)5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,25,27)