[(3S)-1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-phenethyl-carbamimidothioate

Systemtic Name: [(3S)-1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-phenethyl-carbamimidothioate Openeye Name: 1-(4-fluorophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenethyl-isothiourea CAS Name: N-(4-fluorophenyl)-N'-phenethylcarbamimidothioic acid [(3S)-1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-fluorophenyl)-N'-phenethylcarbamimidothioate Traditional Name: 1-(4-fluorophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenethyl-isothiourea Formula: C25H21F2N3O2S MolecularWeight: 465.514946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)SC(=NCCC3=CC=CC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)F)SC(=NCCC3=CC=CC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21F2N3O2S/c26-18-6-10-20(11-7-18)29-25(28-15-14-17-4-2-1-3-5-17)33-22-16-23(31)30(24(22)32)21-12-8-19(27)9-13-21/h1-13,22H,14-16H2,(H,28,29)/t22-/m0/s1