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

Systemtic Name: 1-[(2-nitro-4-sulfamoyl-phenyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-nitro-4-sulfamoyl-anilino)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-nitro-4-sulfamoylanilino)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2-nitro-4-sulfamoylanilino)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-nitro-4-sulfamoyl-anilino)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C14H12F3N5O4S2 MolecularWeight: 435.40139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H12F3N5O4S2/c15-14(16,17)8-2-1-3-9(6-8)19-13(27)21-20-11-5-4-10(28(18,25)26)7-12(11)22(23)24/h1-7,20H,(H2,18,25,26)(H2,19,21,27)