(3-fluoranyl-4-methoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C13H19FN2OS MolecularWeight: 270.366163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C13H19FN2OS/c1-4-9(2)16-13(15)18-8-10-5-6-12(17-3)11(14)7-10/h5-7,9H,4,8H2,1-3H3,(H2,15,16)/t9-/m0/s1