N-butyl-5-ethyl-N-methyl-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-5-ethyl-N-methyl-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-ethyl-N-methyl-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-ethyl-N-methyl-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-ethyl-N-methyl-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-ethyl-6,11,11-triketo-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCCCN(C)C(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C21H24N2O4S/c1-4-6-13-22(3)20(24)15-11-12-19-17(14-15)23(5-2)21(25)16-9-7-8-10-18(16)28(19,26)27/h7-12,14H,4-6,13H2,1-3H3