4-methyl-3-oxidanylidene-2-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1,4-benzothiazine-7-carboxamide

Systemtic Name: 4-methyl-3-oxidanylidene-2-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1,4-benzothiazine-7-carboxamide Openeye Name: 4-methyl-3-oxo-2-(3-pyridylmethyl)-N-(4-pyridylmethyl)-1,4-benzothiazine-7-carboxamide CAS Name: 4-methyl-3-oxo-2-(3-pyridinylmethyl)-N-(pyridin-4-ylmethyl)-1,4-benzothiazine-7-carboxamide IUPAC Name: 4-methyl-3-oxo-2-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1,4-benzothiazine-7-carboxamide Traditional Name: 3-keto-4-methyl-2-(3-pyridylmethyl)-N-(4-pyridylmethyl)-1,4-benzothiazine-7-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=NC=C3)SC(C1=O)CC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=NC=C3)SC(C1=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-26-18-5-4-17(21(27)25-14-15-6-9-23-10-7-15)12-19(18)29-20(22(26)28)11-16-3-2-8-24-13-16/h2-10,12-13,20H,11,14H2,1H3,(H,25,27)