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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-isobutyl-isothiourea Formula: C12H16ClFN2S MolecularWeight: 274.785243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(N)SCC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)CN=C(N)SCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H16ClFN2S/c1-8(2)6-16-12(15)17-7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16)