1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea Formula: C17H19ClFN5O4S2 MolecularWeight: 475.945263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN5O4S2/c1-3-23(4-2)30(27,28)16-10-12(24(25)26)6-8-15(16)21-22-17(29)20-11-5-7-14(19)13(18)9-11/h5-10,21H,3-4H2,1-2H3,(H2,20,22,29)