8-bromanyl-N-(2,3-dimethylcyclohexyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-(2,3-dimethylcyclohexyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-(2,3-dimethylcyclohexyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-(2,3-dimethylcyclohexyl)-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-(2,3-dimethylcyclohexyl)-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-(2,3-dimethylcyclohexyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H25BrN2OS MolecularWeight: 457.4264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Br)C(=N3)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Br)C(=N3)C

InChI

InChI=1S/C23H25BrN2OS/c1-13-5-4-6-19(14(13)2)26-23(27)16-7-9-22-20(11-16)25-15(3)18-12-17(24)8-10-21(18)28-22/h7-14,19H,4-6H2,1-3H3,(H,26,27)