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

Systemtic Name: [1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(3-nitrophenyl)methylideneamino]carbamimidothioate Openeye Name: 2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[(E)-(3-nitrophenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(3-nitrophenyl)methylideneamino]carbamimidothioic acid [1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(3-nitrophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-[(E)-(3-nitrobenzylidene)amino]isothiourea Formula: C19H17N5O5S MolecularWeight: 427.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NN=CC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N\N=C\C3=CC(=CC=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C19H17N5O5S/c1-29-15-7-5-13(6-8-15)23-17(25)10-16(18(23)26)30-19(20)22-21-11-12-3-2-4-14(9-12)24(27)28/h2-9,11,16H,10H2,1H3,(H2,20,22)/b21-11+