6-ethyl-8-methyl-N-(4-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-8-methyl-N-(4-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-(1-methyl-3-phenyl-propyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-(4-phenylbutan-2-yl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(4-phenylbutan-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(1-methyl-3-phenyl-propyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C27H28N2OS/c1-4-23-22-16-18(2)10-14-25(22)31-26-15-13-21(17-24(26)29-23)27(30)28-19(3)11-12-20-8-6-5-7-9-20/h5-10,13-17,19H,4,11-12H2,1-3H3,(H,28,30)