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

Systemtic Name: 1-[(4-tert-butyl-2-hexoxy-phenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butyl-2-hexoxy-phenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butyl-2-hexoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butyl-2-hexoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butyl-2-hexoxy-benzyl)-3-[4-(methanesulfonamido)benzyl]thiourea Formula: C26H39N3O3S2 MolecularWeight: 505.73616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C26H39N3O3S2/c1-6-7-8-9-16-32-24-17-22(26(2,3)4)13-12-21(24)19-28-25(33)27-18-20-10-14-23(15-11-20)29-34(5,30)31/h10-15,17,29H,6-9,16,18-19H2,1-5H3,(H2,27,28,33)