1-(4-methylphenyl)-2,5-bis(oxidanylidene)-N-(2-oxidanylidenethiolan-3-yl)-7,8-dihydro-6H-quinoline-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-2,5-bis(oxidanylidene)-N-(2-oxidanylidenethiolan-3-yl)-7,8-dihydro-6H-quinoline-3-carboxamide Openeye Name: 2,5-dioxo-N-(2-oxotetrahydrothiophen-3-yl)-1-(p-tolyl)-7,8-dihydro-6H-quinoline-3-carboxamide CAS Name: 1-(4-methylphenyl)-2,5-dioxo-N-(2-oxo-3-thiolanyl)-7,8-dihydro-6H-quinoline-3-carboxamide IUPAC Name: 1-(4-methylphenyl)-2,5-dioxo-N-(2-oxothiolan-3-yl)-7,8-dihydro-6H-quinoline-3-carboxamide Traditional Name: 2,5-diketo-N-(2-ketotetrahydrothiophen-3-yl)-1-(p-tolyl)-7,8-dihydro-6H-quinoline-3-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CCC3

InChI

InChI=1S/C21H20N2O4S/c1-12-5-7-13(8-6-12)23-17-3-2-4-18(24)14(17)11-15(20(23)26)19(25)22-16-9-10-28-21(16)27/h5-8,11,16H,2-4,9-10H2,1H3,(H,22,25)