N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(6-morpholino-3-pyridyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(6-morpholino-3-pyridyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCOCC4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCOCC4)NC1=O

InChI

InChI=1S/C20H22N4O3S/c25-19-5-10-28-17-3-2-15(11-16(17)23-19)20(26)22-13-14-1-4-18(21-12-14)24-6-8-27-9-7-24/h1-4,11-12H,5-10,13H2,(H,22,26)(H,23,25)