[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)-3-phenyl-isothiourea Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C20H18N4O3S/c1-2-27-16-10-8-15(9-11-16)24-18(25)12-17(19(24)26)28-20(22-13-21)23-14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3,(H,22,23)