N-(3-ethyl-2-morpholin-4-yl-pentyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(3-ethyl-2-morpholin-4-yl-pentyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-ethyl-2-morpholino-pentyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-ethyl-2-(4-morpholinyl)pentyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)N3CCOCC3

InChI

InChI=1S/C21H31N3O3S/c1-3-15(4-2)18(24-8-10-27-11-9-24)14-22-21(26)16-5-6-19-17(13-16)23-20(25)7-12-28-19/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H,22,26)(H,23,25)