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

Systemtic Name: [2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl] N'-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-carbamimidothioate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-1-phenyl-isothiourea CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioic acid (2,5-dioxo-1-phenyl-3-pyrrolidinyl) ester IUPAC Name: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioate Traditional Name: 2-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-1-phenyl-3-piperonyl-isothiourea Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S/c29-23-14-22(24(30)28(23)19-9-5-2-6-10-19)33-25(27-18-7-3-1-4-8-18)26-15-17-11-12-20-21(13-17)32-16-31-20/h1-13,22H,14-16H2,(H,26,27)