N-butan-2-yl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butan-2-yl-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-sec-butyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butan-2-yl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-butan-2-yl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-sec-butyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2

InChI

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