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

Systemtic Name: [1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-ethyl-N-phenyl-carbamimidothioate Openeye Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-ethyl-1-phenyl-isothiourea CAS Name: N'-ethyl-N-phenylcarbamimidothioic acid [1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-ethyl-N-phenylcarbamimidothioate Traditional Name: 2-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)-3-ethyl-1-phenyl-isothiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN=C(NC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H23N3O3S/c1-3-22-21(23-15-8-6-5-7-9-15)28-18-14-19(25)24(20(18)26)16-10-12-17(13-11-16)27-4-2/h5-13,18H,3-4,14H2,1-2H3,(H,22,23)