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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-iodanyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-iodo-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-iodo-4-(methanesulfonamido)benzyl]thiourea Formula: C20H26IN3O2S2 MolecularWeight: 531.47381

Click to see the large picture

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)I

Isomeric SMILES

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

InChI

InChI=1S/C20H26IN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)