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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]thiourea Formula: C18H22ClN5O4S2 MolecularWeight: 471.98138

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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=C(C(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O4S2/c1-4-23(5-2)30(27,28)17-11-13(24(25)26)9-10-16(17)21-22-18(29)20-15-8-6-7-14(19)12(15)3/h6-11,21H,4-5H2,1-3H3,(H2,20,22,29)