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

Systemtic Name: 6-oxidanylidene-N-(phenylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(phenylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-benzyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H16N2O2S/c24-20(22-13-14-6-2-1-3-7-14)15-10-11-19-17(12-15)23-21(25)16-8-4-5-9-18(16)26-19/h1-12H,13H2,(H,22,24)(H,23,25)