1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-benzyl-1-(2-chloro-6-fluoro-benzyl)-3-(4-methoxyphenyl)thiourea Formula: C22H20ClFN2OS MolecularWeight: 414.923403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H20ClFN2OS/c1-27-18-12-10-17(11-13-18)25-22(28)26(14-16-6-3-2-4-7-16)15-19-20(23)8-5-9-21(19)24/h2-13H,14-15H2,1H3,(H,25,28)