1-[(4-tert-butylphenyl)methyl]-3-[(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-2-iodo-5-methoxy-phenyl)methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(4-hydroxy-2-iodo-5-methoxy-benzyl)thiourea Formula: C20H25IN2O2S MolecularWeight: 484.39417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2I)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2I)O)OC

InChI

InChI=1S/C20H25IN2O2S/c1-20(2,3)15-7-5-13(6-8-15)11-22-19(26)23-12-14-9-18(25-4)17(24)10-16(14)21/h5-10,24H,11-12H2,1-4H3,(H2,22,23,26)