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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)C(C)(C)C)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C25H37N3O3S2/c1-6-7-8-15-31-23-16-21(25(2,3)4)12-11-20(23)18-27-24(32)26-17-19-9-13-22(14-10-19)28-33(5,29)30/h9-14,16,28H,6-8,15,17-18H2,1-5H3,(H2,26,27,32)