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

Systemtic Name: 8-chloranyl-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-(4-methylcyclohexyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-(4-methylcyclohexyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H27ClN2OS MolecularWeight: 427.00198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2OS/c1-3-4-20-19-14-17(25)8-12-22(19)29-23-11-7-16(13-21(23)27-20)24(28)26-18-9-5-15(2)6-10-18/h7-8,11-15,18H,3-6,9-10H2,1-2H3,(H,26,28)