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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)-3-nitro-phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitro-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamido)-3-nitro-benzyl]thiourea Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S2/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(29)22-13-15-7-10-17(23-30(4,27)28)18(11-15)24(25)26/h5-11,23H,12-13H2,1-4H3,(H2,21,22,29)