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

Systemtic Name: [1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamimidothioate Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamimidothioic acid [1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamimidothioate Traditional Name: 2-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-[(E)-(3,4,5-trimethoxybenzylidene)amino]isothiourea Formula: C21H21BrN4O5S MolecularWeight: 521.38424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NN=C(N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/N=C(\N)/SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O5S/c1-29-15-8-12(9-16(30-2)19(15)31-3)11-24-25-21(23)32-17-10-18(27)26(20(17)28)14-6-4-13(22)5-7-14/h4-9,11,17H,10H2,1-3H3,(H2,23,25)/b24-11+