1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-methyl-4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-5-methyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methyl-5-vinyl-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-4-(methanesulfonamido)-5-methylphenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-ethenyl-4-(methanesulfonamido)-5-methylphenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamido)-3-methyl-5-vinyl-benzyl]thiourea Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)C=C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)C=C)NS(=O)(=O)C

InChI

InChI=1S/C23H31N3O2S2/c1-7-19-13-18(12-16(2)21(19)26-30(6,27)28)15-25-22(29)24-14-17-8-10-20(11-9-17)23(3,4)5/h7-13,26H,1,14-15H2,2-6H3,(H2,24,25,29)