[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[[(1E)-1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]amino]carbamimidothioate

Systemtic Name: [1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[[(1E)-1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]amino]carbamimidothioate Openeye Name: 2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[[(1E)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]isothiourea CAS Name: N'-[[(1E)-1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]amino]carbamimidothioic acid [1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[[(1E)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-[[(1E)-1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]amino]isothiourea Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NN=C(N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=C\1/C=CC=CC1=O)/N/N=C(\N)/SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O4S/c1-12(15-5-3-4-6-16(15)25)22-23-20(21)29-17-11-18(26)24(19(17)27)13-7-9-14(28-2)10-8-13/h3-10,17,22H,11H2,1-2H3,(H2,21,23)/b15-12+