1-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butyl-2-neopentyloxy-benzyl)-3-[4-(methanesulfonamido)benzyl]thiourea Formula: C25H37N3O3S2 MolecularWeight: 491.70958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)COC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C25H37N3O3S2/c1-24(2,3)17-31-22-14-20(25(4,5)6)11-10-19(22)16-27-23(32)26-15-18-8-12-21(13-9-18)28-33(7,29)30/h8-14,28H,15-17H2,1-7H3,(H2,26,27,32)