(3-fluoranyl-4-methoxy-phenyl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-isobutyl-isothiourea Formula: C13H19FN2OS MolecularWeight: 270.366163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(N)SCC1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(C)CN=C(N)SCC1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C13H19FN2OS/c1-9(2)7-16-13(15)18-8-10-4-5-12(17-3)11(14)6-10/h4-6,9H,7-8H2,1-3H3,(H2,15,16)