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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-isoamyl-isothiourea Formula: C14H21FN2OS MolecularWeight: 284.392743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2OS/c1-10(2)6-7-17-14(16)19-9-11-4-5-13(18-3)12(15)8-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17)