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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-(methanesulfonamido)benzyl]thiourea Formula: C20H27N3O2S2 MolecularWeight: 405.57728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(26)22-14-16-6-5-7-18(12-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)