1-(3-chloranyl-4-fluoranyl-phenyl)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-(3-chloro-4-fluoro-phenyl)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]thiourea Traditional Name: 3-benzyl-1-(3-chloro-4-fluoro-phenyl)-1-(2-hydroxy-3-methoxy-benzyl)thiourea Formula: C22H20ClFN2O2S MolecularWeight: 430.922803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN(C2=CC(=C(C=C2)F)Cl)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1O)CN(C2=CC(=C(C=C2)F)Cl)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClFN2O2S/c1-28-20-9-5-8-16(21(20)27)14-26(17-10-11-19(24)18(23)12-17)22(29)25-13-15-6-3-2-4-7-15/h2-12,27H,13-14H2,1H3,(H,25,29)