[1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate

Systemtic Name: [1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate Openeye Name: 2-[1-(1-naphthyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid [1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: (1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl) N,N'-diphenylcarbamimidothioate Traditional Name: 2-[2,5-diketo-1-(1-naphthyl)pyrrolidin-3-yl]-1,3-diphenyl-isothiourea Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32)SC(=NC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32)SC(=NC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c31-25-18-24(26(32)30(25)23-17-9-11-19-10-7-8-16-22(19)23)33-27(28-20-12-3-1-4-13-20)29-21-14-5-2-6-15-21/h1-17,24H,18H2,(H,28,29)