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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(2-methylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(o-tolyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-benzyl-1-(2-chloro-6-fluoro-benzyl)-3-(o-tolyl)thiourea Formula: C22H20ClFN2S MolecularWeight: 398.924003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H20ClFN2S/c1-16-8-5-6-13-21(16)25-22(27)26(14-17-9-3-2-4-10-17)15-18-19(23)11-7-12-20(18)24/h2-13H,14-15H2,1H3,(H,25,27)