(2-chloranyl-6-fluoranyl-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C12H16ClFN2S MolecularWeight: 274.785243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H16ClFN2S/c1-3-8(2)16-12(15)17-7-9-10(13)5-4-6-11(9)14/h4-6,8H,3,7H2,1-2H3,(H2,15,16)/t8-/m0/s1