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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylaminomethyl)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamidomethyl)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamidomethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamidomethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamidomethyl)benzyl]thiourea Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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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)CNS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S2/c1-21(2,3)19-11-9-17(10-12-19)14-23-20(27)22-13-16-5-7-18(8-6-16)15-24-28(4,25)26/h5-12,24H,13-15H2,1-4H3,(H2,22,23,27)