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

Systemtic Name: 1-[(4-tert-butyl-2-methoxy-phenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butyl-2-methoxy-phenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butyl-2-methoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butyl-2-methoxyphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butyl-2-methoxy-benzyl)-3-[4-(methanesulfonamido)benzyl]thiourea Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-8-16(19(12-17)27-4)14-23-20(28)22-13-15-6-10-18(11-7-15)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)