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

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-carbamimidothioate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dioxopyrrolidin-3-yl)-1-phenyl-isothiourea CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioic acid (2,5-dioxo-3-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-3-yl) N'-(1,3-benzodioxol-5-ylmethyl)-N-phenylcarbamimidothioate Traditional Name: 2-(2,5-diketopyrrolidin-3-yl)-1-phenyl-3-piperonyl-isothiourea Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1=O)SC(=NCC2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)NC1=O)SC(=NCC2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O4S/c23-17-9-16(18(24)22-17)27-19(21-13-4-2-1-3-5-13)20-10-12-6-7-14-15(8-12)26-11-25-14/h1-8,16H,9-11H2,(H,20,21)(H,22,23,24)