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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(p-tolylsulfonylamino)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(tosylamino)benzyl]thiourea Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CNC(=S)NCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CNC(=S)NCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H31N3O2S2/c1-19-5-15-24(16-6-19)33(30,31)29-23-13-9-21(10-14-23)18-28-25(32)27-17-20-7-11-22(12-8-20)26(2,3)4/h5-16,29H,17-18H2,1-4H3,(H2,27,28,32)