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

Systemtic Name: 4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: 4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C16H13N3O5S3 MolecularWeight: 423.48652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S3/c1-25-13-6-3-9(7-12(13)19(21)22)15(20)18-16-17-11-5-4-10(27(2,23)24)8-14(11)26-16/h3-8H,1-2H3,(H,17,18,20)