[1-(2-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-carbamimidothioate

Systemtic Name: [1-(2-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-carbamimidothioate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-2-[1-(2-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidothioic acid [1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidothioate Traditional Name: 1-ethyl-2-[1-(2-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-piperonyl-isothiourea Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=CC=C4F

Isomeric SMILES

CCNC(=NCC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O4S/c1-2-23-21(24-11-13-7-8-16-17(9-13)29-12-28-16)30-18-10-19(26)25(20(18)27)15-6-4-3-5-14(15)22/h3-9,18H,2,10-12H2,1H3,(H,23,24)