N-(2-methylbutan-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-methylbutan-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1,1-dimethylpropyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-methylbutan-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-methylbutan-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-tert-amyl-4-(methylthio)-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-5-13(2,3)14-12(16)9-6-7-11(19-4)10(8-9)15(17)18/h6-8H,5H2,1-4H3,(H,14,16)