(2-chloranyl-6-fluoranyl-phenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-p-phenetyl-isothiourea Formula: C16H16ClFN2OS MolecularWeight: 338.827443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H16ClFN2OS/c1-2-21-12-8-6-11(7-9-12)20-16(19)22-10-13-14(17)4-3-5-15(13)18/h3-9H,2,10H2,1H3,(H2,19,20)