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

Systemtic Name: [(R)-(3-oxidanylidene-4H-quinoxalin-2-yl)-phenyl-methyl] N'-(4-methylphenyl)-N-phenyl-carbamimidothioate Openeye Name: 2-[(R)-(3-oxo-4H-quinoxalin-2-yl)-phenyl-methyl]-1-phenyl-3-(p-tolyl)isothiourea CAS Name: N'-(4-methylphenyl)-N-phenylcarbamimidothioic acid [(R)-(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl] ester IUPAC Name: [(R)-(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl] N'-(4-methylphenyl)-N-phenylcarbamimidothioate Traditional Name: 2-[(R)-(3-keto-4H-quinoxalin-2-yl)-phenyl-methyl]-1-phenyl-3-(p-tolyl)isothiourea Formula: C29H24N4OS MolecularWeight: 476.59206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)SC(C3=CC=CC=C3)C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)S[C@H](C3=CC=CC=C3)C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C29H24N4OS/c1-20-16-18-23(19-17-20)31-29(30-22-12-6-3-7-13-22)35-27(21-10-4-2-5-11-21)26-28(34)33-25-15-9-8-14-24(25)32-26/h2-19,27H,1H3,(H,30,31)(H,33,34)/t27-/m1/s1