3-[(4-tert-butylphenyl)methyl]-1-[[4-(methylsulfonylamino)-3-nitro-phenyl]methyl]-1-oxidanyl-thiourea

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-1-[[4-(methylsulfonylamino)-3-nitro-phenyl]methyl]-1-oxidanyl-thiourea Openeye Name: 3-[(4-tert-butylphenyl)methyl]-1-hydroxy-1-[[4-(methanesulfonamido)-3-nitro-phenyl]methyl]thiourea CAS Name: 3-[(4-tert-butylphenyl)methyl]-1-hydroxy-1-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]thiourea IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-1-hydroxy-1-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]thiourea Traditional Name: 3-(4-tert-butylbenzyl)-1-hydroxy-1-[4-(methanesulfonamido)-3-nitro-benzyl]thiourea Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)N(CC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)N(CC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C20H26N4O5S2/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(30)23(25)13-15-7-10-17(22-31(4,28)29)18(11-15)24(26)27/h5-11,22,25H,12-13H2,1-4H3,(H,21,30)