2-[(4-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 3-oxo-N-phenethyl-2-(p-tolylmethylsulfanylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(4-methylphenyl)methylthio]methyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 3-keto-2-[[(4-methylbenzyl)thio]methyl]-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-18-7-9-20(10-8-18)16-32-17-24-26(31)29-23-15-21(11-12-22(23)28-24)25(30)27-14-13-19-5-3-2-4-6-19/h2-12,15,24,28H,13-14,16-17H2,1H3,(H,27,30)(H,29,31)