[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-(2-fluorophenyl)carbamimidothioate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-(2-fluorophenyl)carbamimidothioate Openeye Name: 1-cyano-3-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]isothiourea CAS Name: N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] N-cyano-N'-(2-fluorophenyl)carbamimidothioate Traditional Name: 1-cyano-3-(2-fluorophenyl)-2-[2-keto-2-(4-methoxyphenyl)ethyl]isothiourea Formula: C17H14FN3O2S MolecularWeight: 343.375363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2F)NC#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2F)NC#N

InChI

InChI=1S/C17H14FN3O2S/c1-23-13-8-6-12(7-9-13)16(22)10-24-17(20-11-19)21-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,20,21)