[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-carbamimidothioate

Systemtic Name: [1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenyl-isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenylcarbamimidothioic acid [1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenylcarbamimidothioate Traditional Name: 2-[1-(4-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-homoveratryl-1-phenyl-isothiourea Formula: C27H26FN3O4S MolecularWeight: 507.576443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(NC2=CC=CC=C2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(NC2=CC=CC=C2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H26FN3O4S/c1-34-22-13-8-18(16-23(22)35-2)14-15-29-27(30-20-6-4-3-5-7-20)36-24-17-25(32)31(26(24)33)21-11-9-19(28)10-12-21/h3-13,16,24H,14-15,17H2,1-2H3,(H,29,30)