[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NNC=C3C=CC=CC3=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N/N/C=C\3/C=CC=CC3=O)/N

InChI

InChI=1S/C20H20N4O4S/c1-2-28-15-9-7-14(8-10-15)24-18(26)11-17(19(24)27)29-20(21)23-22-12-13-5-3-4-6-16(13)25/h3-10,12,17,22H,2,11H2,1H3,(H2,21,23)/b13-12-