1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea Openeye Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-nitro-4-sulfamoylanilino)thiourea IUPAC Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C16H20N6O6S3 MolecularWeight: 488.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O6S3/c1-10-4-5-12(31(27,28)21(2)3)8-14(10)18-16(29)20-19-13-7-6-11(30(17,25)26)9-15(13)22(23)24/h4-9,19H,1-3H3,(H2,17,25,26)(H2,18,20,29)