[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: [1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 3-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamimidothioic acid [1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]isothiourea Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NNC=C3C=C(C(=O)C(=C3)OC)OC)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/NC=C3C=C(C(=O)C(=C3)OC)OC)/N

InChI

InChI=1S/C21H22N4O6S/c1-29-14-6-4-13(5-7-14)25-18(26)10-17(20(25)28)32-21(22)24-23-11-12-8-15(30-2)19(27)16(9-12)31-3/h4-9,11,17,23H,10H2,1-3H3,(H2,22,24)