1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C26H21ClFN3OS MolecularWeight: 477.980843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CC3=CN=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CC3=CN=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H21ClFN3OS/c27-24-9-4-10-25(28)23(24)18-31(17-19-6-5-15-29-16-19)26(33)30-20-11-13-22(14-12-20)32-21-7-2-1-3-8-21/h1-16H,17-18H2,(H,30,33)