4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[methyl-[4-(methylthio)benzyl]amino]methyl]-3-nitro-benzamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-19(10-12-3-7-15(24-2)8-4-12)11-14-6-5-13(17(18)21)9-16(14)20(22)23/h3-9H,10-11H2,1-2H3,(H2,18,21)