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

Systemtic Name: N-butyl-5-ethyl-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-ethyl-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-ethyl-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-ethyl-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-ethyl-6,11,11-triketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-3-5-12-21-19(23)14-10-11-18-16(13-14)22(4-2)20(24)15-8-6-7-9-17(15)27(18,25)26/h6-11,13H,3-5,12H2,1-2H3,(H,21,23)