4,5-dimethoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O5S2/c1-24-13-7-10(12(20(22)23)8-14(13)25-2)16(21)18-9-4-5-11-15(6-9)27-17(19-11)26-3/h4-8H,1-3H3,(H,18,21)