N-[6-(dimethylamino)pyridin-3-yl]-4-(2-methylpropylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(2-methylpropylsulfanyl)-3-nitro-benzamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-4-isobutylsulfanyl-3-nitro-benzamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-4-(2-methylpropylthio)-3-nitrobenzamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(2-methylpropylsulfanyl)-3-nitrobenzamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-4-(isobutylthio)-3-nitro-benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-12(2)11-26-16-7-5-13(9-15(16)22(24)25)18(23)20-14-6-8-17(19-10-14)21(3)4/h5-10,12H,11H2,1-4H3,(H,20,23)