[1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate

Systemtic Name: [1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-[1-(3-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioic acid [1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(3-nitrophenyl)pyrrolidin-3-yl]-3-[(E)-piperonylideneamino]isothiourea Formula: C19H15N5O6S MolecularWeight: 441.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])SC(=NN=CC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])S/C(=N/N=C/C3=CC4=C(C=C3)OCO4)/N

InChI

InChI=1S/C19H15N5O6S/c20-19(22-21-9-11-4-5-14-15(6-11)30-10-29-14)31-16-8-17(25)23(18(16)26)12-2-1-3-13(7-12)24(27)28/h1-7,9,16H,8,10H2,(H2,20,22)/b21-9+