N-(2,6-dimethylphenyl)-2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]carbamothioylamino]-2-phenyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]carbamothioylamino]-2-phenyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]carbamothioylamino]-2-phenyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[[4-(dimethylsulfamoyl)-2-nitroanilino]-sulfanylidenemethyl]amino]-2-phenylacetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[4-(dimethylsulfamoyl)-2-nitrophenyl]carbamothioylamino]-2-phenylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]thiocarbamoylamino]-2-phenyl-acetamide Formula: C25H27N5O5S2 MolecularWeight: 541.64238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5S2/c1-16-9-8-10-17(2)22(16)27-24(31)23(18-11-6-5-7-12-18)28-25(36)26-20-14-13-19(15-21(20)30(32)33)37(34,35)29(3)4/h5-15,23H,1-4H3,(H,27,31)(H2,26,28,36)