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

Systemtic Name: 1-[(4-tert-butyl-2-phenylmethoxy-phenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(2-benzyloxy-4-tert-butyl-phenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butyl-2-phenylmethoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butyl-2-phenylmethoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(2-benzoxy-4-tert-butyl-benzyl)-3-[4-(methanesulfonamido)benzyl]thiourea Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O3S2/c1-27(2,3)23-13-12-22(25(16-23)33-19-21-8-6-5-7-9-21)18-29-26(34)28-17-20-10-14-24(15-11-20)30-35(4,31)32/h5-16,30H,17-19H2,1-4H3,(H2,28,29,34)