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

Systemtic Name: 1-[(2-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-[(4-hydroxy-2-iodo-5-methoxy-phenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-hydroxy-2-iodo-5-methoxy-benzyl)-3-[4-(trifluoromethyl)benzyl]thiourea Formula: C17H16F3IN2O2S MolecularWeight: 496.28582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC(=S)NCC2=CC=C(C=C2)C(F)(F)F)I)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC(=S)NCC2=CC=C(C=C2)C(F)(F)F)I)O

InChI

InChI=1S/C17H16F3IN2O2S/c1-25-15-6-11(13(21)7-14(15)24)9-23-16(26)22-8-10-2-4-12(5-3-10)17(18,19)20/h2-7,24H,8-9H2,1H3,(H2,22,23,26)