4-(dimethylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-methyl-N-[4-(methylthio)benzyl]-3-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-19(2)16-10-7-14(11-17(16)21(23)24)18(22)20(3)12-13-5-8-15(25-4)9-6-13/h5-11H,12H2,1-4H3