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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-vinyl-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamido)-3-vinyl-benzyl]thiourea Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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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)C=C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-6-18-13-17(9-12-20(18)25-29(5,26)27)15-24-21(28)23-14-16-7-10-19(11-8-16)22(2,3)4/h6-13,25H,1,14-15H2,2-5H3,(H2,23,24,28)