[(R)-(3-oxidanylidene-4H-quinoxalin-2-yl)-phenyl-methyl] N,N'-diphenylcarbamimidothioate

Systemtic Name: [(R)-(3-oxidanylidene-4H-quinoxalin-2-yl)-phenyl-methyl] N,N'-diphenylcarbamimidothioate Openeye Name: 2-[(R)-(3-oxo-4H-quinoxalin-2-yl)-phenyl-methyl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid [(R)-(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl] ester IUPAC Name: [(R)-(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl] N,N'-diphenylcarbamimidothioate Traditional Name: 2-[(R)-(3-keto-4H-quinoxalin-2-yl)-phenyl-methyl]-1,3-diphenyl-isothiourea Formula: C28H22N4OS MolecularWeight: 462.56548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3NC2=O)SC(=NC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=NC3=CC=CC=C3NC2=O)SC(=NC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H22N4OS/c33-27-25(31-23-18-10-11-19-24(23)32-27)26(20-12-4-1-5-13-20)34-28(29-21-14-6-2-7-15-21)30-22-16-8-3-9-17-22/h1-19,26H,(H,29,30)(H,32,33)/t26-/m1/s1