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

Systemtic Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-N-[(2-morpholinophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-(2-morpholinobenzyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H25N3O3S/c1-24(15-17-4-2-3-5-19(17)25-9-11-28-12-10-25)22(27)16-6-7-20-18(14-16)23-21(26)8-13-29-20/h2-7,14H,8-13,15H2,1H3,(H,23,26)