(4-cyano-2-fluoranyl-phenyl)methyl N'-[(4-methylphenyl)methyl]carbamimidothioate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl N'-[(4-methylphenyl)methyl]carbamimidothioate Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methyl]-3-(p-tolylmethyl)isothiourea CAS Name: N'-[(4-methylphenyl)methyl]carbamimidothioic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl N'-[(4-methylphenyl)methyl]carbamimidothioate Traditional Name: 2-(4-cyano-2-fluoro-benzyl)-3-(4-methylbenzyl)isothiourea Formula: C17H16FN3S MolecularWeight: 313.392443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN=C(N)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)CN=C(N)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C17H16FN3S/c1-12-2-4-13(5-3-12)10-21-17(20)22-11-15-7-6-14(9-19)8-16(15)18/h2-8H,10-11H2,1H3,(H2,20,21)