(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-(3-chloro-4-fluoro-phenyl)isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-(3-chloro-4-fluoro-phenyl)isothiourea Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC(=C(C=C2)F)Cl)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC(=C(C=C2)F)Cl)N

InChI

InChI=1S/C18H18ClFN2O2S/c1-3-24-17-7-4-12(11(2)23)8-13(17)10-25-18(21)22-14-5-6-16(20)15(19)9-14/h4-9H,3,10H2,1-2H3,(H2,21,22)