N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4H-1,4-benzothiazine-6-carboxamide Formula: C17H13N3O2S3 MolecularWeight: 387.49902

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C17H13N3O2S3/c1-23-17-20-11-4-3-10(7-14(11)25-17)18-16(22)9-2-5-13-12(6-9)19-15(21)8-24-13/h2-7H,8H2,1H3,(H,18,22)(H,19,21)