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

Systemtic Name: 1-[[3-bromanyl-4-(methylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Openeye Name: 1-[[3-bromo-4-(methanesulfonamido)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea CAS Name: 1-[[3-bromo-4-(methanesulfonamido)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea IUPAC Name: 1-[[3-bromo-4-(methanesulfonamido)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Traditional Name: 1-[3-bromo-4-(methanesulfonamido)benzyl]-3-(4-tert-butylbenzyl)thiourea Formula: C20H26BrN3O2S2 MolecularWeight: 484.47334

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O2S2/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)