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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)phenyl]-phenyl-methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]-phenyl-methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]-phenylmethyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]-phenylmethyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[[4-(methanesulfonamido)phenyl]-phenyl-methyl]thiourea Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC(C2=CC=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC(C2=CC=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

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