3-(2,5-ditert-butylphenyl)-1-[(2-iodanylphenyl)methyl]-1-(phenylmethyl)urea

Systemtic Name: 3-(2,5-ditert-butylphenyl)-1-[(2-iodanylphenyl)methyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(2,5-ditert-butylphenyl)-1-[(2-iodophenyl)methyl]urea CAS Name: 3-(2,5-ditert-butylphenyl)-1-[(2-iodophenyl)methyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(2,5-ditert-butylphenyl)-1-[(2-iodophenyl)methyl]urea Traditional Name: 1-benzyl-3-(2,5-ditert-butylphenyl)-1-(2-iodobenzyl)urea Formula: C29H35IN2O MolecularWeight: 554.50547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3I

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3I

InChI

InChI=1S/C29H35IN2O/c1-28(2,3)23-16-17-24(29(4,5)6)26(18-23)31-27(33)32(19-21-12-8-7-9-13-21)20-22-14-10-11-15-25(22)30/h7-18H,19-20H2,1-6H3,(H,31,33)