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

Systemtic Name: [(3R)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate Openeye Name: 2-[(3R)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid [(3R)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl] ester IUPAC Name: [(3R)-2,5-dioxo-1-phenethylpyrrolidin-3-yl] N,N'-diphenylcarbamimidothioate Traditional Name: 2-[(3R)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1[C@H](C(=O)N(C1=O)CCC2=CC=CC=C2)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c29-23-18-22(24(30)28(23)17-16-19-10-4-1-5-11-19)31-25(26-20-12-6-2-7-13-20)27-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,26,27)/t22-/m1/s1