1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H20N4OS/c1-20(2)15-12(5-4-10-17-15)11-18-16(21)19-13-6-8-14(22-3)9-7-13/h4-10H,11H2,1-3H3,(H2,18,19,21)/p+1