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

Systemtic Name: 8-methyl-N-(3-methylbutyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-(3-methylbutyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-(3-methylbutyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS/c1-5-6-19-18-13-16(4)7-9-21(18)27-22-10-8-17(14-20(22)25-19)23(26)24-12-11-15(2)3/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26)