3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(3-methoxyphenyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(3-methoxyphenyl)thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(2-hydroxyphenyl)methyl]-1-(3-methoxyphenyl)thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]-1-(3-methoxyphenyl)thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]-1-(3-methoxyphenyl)thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-(3-methoxyphenyl)-1-salicyl-thiourea Formula: C21H18ClFN2O2S MolecularWeight: 416.896223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC2=CC=CC=C2O)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N(CC2=CC=CC=C2O)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H18ClFN2O2S/c1-27-17-7-4-6-16(12-17)25(13-14-5-2-3-8-20(14)26)21(28)24-15-9-10-19(23)18(22)11-15/h2-12,26H,13H2,1H3,(H,24,28)