N1-(1-methylsulfanylpropan-2-yl)-3-nitro-benzene-1,2-dicarboxamide

Systemtic Name: N1-(1-methylsulfanylpropan-2-yl)-3-nitro-benzene-1,2-dicarboxamide Openeye Name: N1-(1-methyl-2-methylsulfanyl-ethyl)-3-nitro-phthalamide CAS Name: N1-[1-(methylthio)propan-2-yl]-3-nitrobenzene-1,2-dicarboxamide IUPAC Name: 1-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzene-1,2-dicarboxamide Traditional Name: N-[1-methyl-2-(methylthio)ethyl]-3-nitro-phthalamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(CSC)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C12H15N3O4S/c1-7(6-20-2)14-12(17)8-4-3-5-9(15(18)19)10(8)11(13)16/h3-5,7H,6H2,1-2H3,(H2,13,16)(H,14,17)