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

Systemtic Name: 2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 2-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 2-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C16H13N3O3S2/c1-9-11(4-3-5-13(9)19(21)22)15(20)18-16-17-12-7-6-10(23-2)8-14(12)24-16/h3-8H,1-2H3,(H,17,18,20)