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

Systemtic Name: [2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl] N-ethyl-N'-phenethyl-carbamimidothioate Openeye Name: 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-1-ethyl-3-phenethyl-isothiourea CAS Name: N-ethyl-N'-phenethylcarbamimidothioic acid (2,5-dioxo-1-phenyl-3-pyrrolidinyl) ester IUPAC Name: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N-ethyl-N'-phenethylcarbamimidothioate Traditional Name: 2-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-1-ethyl-3-phenethyl-isothiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCCC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=NCCC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-2-22-21(23-14-13-16-9-5-3-6-10-16)27-18-15-19(25)24(20(18)26)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,23)