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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: N-isopropyl-3-oxo-2-(p-tolylmethylsulfanylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(4-methylphenyl)methylthio]methyl]-3-oxo-N-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanylmethyl]-3-oxo-N-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: N-isopropyl-3-keto-2-[[(4-methylbenzyl)thio]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-13(2)22-20(25)16-8-9-17-18(10-16)24-21(26)19(23-17)12-27-11-15-6-4-14(3)5-7-15/h4-10,13,19,23H,11-12H2,1-3H3,(H,22,25)(H,24,26)