8-methyl-N-(3-propan-2-yloxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-methyl-N-(3-propan-2-yloxypropyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-isopropoxypropyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-(3-propan-2-yloxypropyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-(3-propan-2-yloxypropyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-isopropoxypropyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C24H30N2O2S/c1-5-7-20-19-14-17(4)8-10-22(19)29-23-11-9-18(15-21(23)26-20)24(27)25-12-6-13-28-16(2)3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,27)