N-butyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-butyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H18N2O2S/c1-2-3-10-19-17(21)12-8-9-16-14(11-12)20-18(22)13-6-4-5-7-15(13)23-16/h4-9,11H,2-3,10H2,1H3,(H,19,21)(H,20,22)