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

Systemtic Name: [2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl] N'-ethyl-N-(4-methoxyphenyl)carbamimidothioate Openeye Name: 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-ethyl-1-(4-methoxyphenyl)isothiourea CAS Name: N'-ethyl-N-(4-methoxyphenyl)carbamimidothioic acid (2,5-dioxo-1-phenyl-3-pyrrolidinyl) ester IUPAC Name: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-ethyl-N-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-3-ethyl-1-(4-methoxyphenyl)isothiourea Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-3-21-20(22-14-9-11-16(26-2)12-10-14)27-17-13-18(24)23(19(17)25)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,21,22)