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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-[(phenylmethyl)sulfonylamino]phenyl]methyl]thiourea Openeye Name: 1-[[4-(benzylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-[(phenylmethyl)sulfonylamino]phenyl]methyl]thiourea IUPAC Name: 1-[[4-(benzylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Traditional Name: 1-[4-(benzylsulfonylamino)benzyl]-3-(4-tert-butylbenzyl)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)NCC2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O2S2/c1-26(2,3)23-13-9-20(10-14-23)17-27-25(32)28-18-21-11-15-24(16-12-21)29-33(30,31)19-22-7-5-4-6-8-22/h4-16,29H,17-19H2,1-3H3,(H2,27,28,32)