5-ethyl-N'-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboximidamide

Systemtic Name: 5-ethyl-N'-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboximidamide Openeye Name: 5-ethyl-N'-hydroxy-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamidine CAS Name: 5-ethyl-N'-hydroxy-6-oxo-3-benzo[b][1,4]benzothiazepinecarboximidamide IUPAC Name: 5-ethyl-N'-hydroxy-6-oxobenzo[b][1,4]benzothiazepine-3-carboximidamide Traditional Name: 5-ethyl-N'-hydroxy-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamidine Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=NO)N)SC3=CC=CC=C3C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)/C(=N/O)/N)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C16H15N3O2S/c1-2-19-12-9-10(15(17)18-21)7-8-14(12)22-13-6-4-3-5-11(13)16(19)20/h3-9,21H,2H2,1H3,(H2,17,18)