1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-fluoranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-fluoranyl-5-nitro-phenyl)thiourea Openeye Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-fluoro-5-nitro-phenyl)thiourea CAS Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-fluoro-5-nitrophenyl)thiourea IUPAC Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-fluoro-5-nitrophenyl)thiourea Traditional Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-fluoro-5-nitro-phenyl)thiourea Formula: C16H17FN4O4S2 MolecularWeight: 412.458983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H17FN4O4S2/c1-10-4-6-12(27(24,25)20(2)3)9-14(10)18-16(26)19-15-8-11(21(22)23)5-7-13(15)17/h4-9H,1-3H3,(H2,18,19,26)