3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[4-(3-pyridylmethylthio)phenyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c25-20-13-28-19-8-3-15(10-18(19)24-20)21(26)23-16-4-6-17(7-5-16)27-12-14-2-1-9-22-11-14/h1-11H,12-13H2,(H,23,26)(H,24,25)