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

Systemtic Name: (3-oxidanylidene-4H-quinoxalin-2-yl)methyl N'-(4-methylphenyl)-N-phenyl-carbamimidothioate Openeye Name: 2-[(3-oxo-4H-quinoxalin-2-yl)methyl]-1-phenyl-3-(p-tolyl)isothiourea CAS Name: N'-(4-methylphenyl)-N-phenylcarbamimidothioic acid (3-oxo-4H-quinoxalin-2-yl)methyl ester IUPAC Name: (3-oxo-4H-quinoxalin-2-yl)methyl N'-(4-methylphenyl)-N-phenylcarbamimidothioate Traditional Name: 2-[(3-keto-4H-quinoxalin-2-yl)methyl]-1-phenyl-3-(p-tolyl)isothiourea Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)SCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)N=C(NC2=CC=CC=C2)SCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H20N4OS/c1-16-11-13-18(14-12-16)25-23(24-17-7-3-2-4-8-17)29-15-21-22(28)27-20-10-6-5-9-19(20)26-21/h2-14H,15H2,1H3,(H,24,25)(H,27,28)