1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Formula: C14H11F3N4O4S2 MolecularWeight: 420.38675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C14H11F3N4O4S2/c15-14(16,17)11-7-9(21(22)23)3-6-12(11)20-13(26)19-8-1-4-10(5-2-8)27(18,24)25/h1-7H,(H2,18,24,25)(H2,19,20,26)