[1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate

Systemtic Name: [1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-[1-(3-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioic acid [1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(3-nitrophenyl)pyrrolidin-3-yl]-3-[(E)-[4-(dimethylamino)benzylidene]amino]isothiourea Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NN=C(N)SC2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/N=C(/N)\SC2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-24(2)14-8-6-13(7-9-14)12-22-23-20(21)31-17-11-18(27)25(19(17)28)15-4-3-5-16(10-15)26(29)30/h3-10,12,17H,11H2,1-2H3,(H2,21,23)/b22-12+