(2-chloranyl-6-fluoranyl-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-isoamyl-isothiourea Formula: C13H18ClFN2S MolecularWeight: 288.811823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClFN2S/c1-9(2)6-7-17-13(16)18-8-10-11(14)4-3-5-12(10)15/h3-5,9H,6-8H2,1-2H3,(H2,16,17)