methyl N-(2-cyano-4,5-dimethoxy-phenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate

Systemtic Name: methyl N-(2-cyano-4,5-dimethoxy-phenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate Openeye Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[(4-fluorophenyl)methyl]-2-methyl-isothiourea CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-cyano-4,5-dimethoxyphenyl)-N'-[(4-fluorophenyl)methyl]carbamimidothioate Traditional Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-(4-fluorobenzyl)-2-methyl-isothiourea Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=NCC2=CC=C(C=C2)F)SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=NCC2=CC=C(C=C2)F)SC)OC

InChI

InChI=1S/C18H18FN3O2S/c1-23-16-8-13(10-20)15(9-17(16)24-2)22-18(25-3)21-11-12-4-6-14(19)7-5-12/h4-9H,11H2,1-3H3,(H,21,22)