1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[2-(diethylsulfamoyl)-4-nitro-anilino]-3-(3,5-dimethylphenyl)thiourea Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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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(=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S2/c1-5-23(6-2)30(27,28)18-12-16(24(25)26)7-8-17(18)21-22-19(29)20-15-10-13(3)9-14(4)11-15/h7-12,21H,5-6H2,1-4H3,(H2,20,22,29)