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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-N-(3-methylbutyl)-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-N-isopentyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(3-chlorophenyl)methylthio]methyl]-N-(3-methylbutyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanylmethyl]-N-(3-methylbutyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[[(3-chlorobenzyl)thio]methyl]-N-isoamyl-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-14(2)8-9-24-21(27)16-6-7-18-19(11-16)26-22(28)20(25-18)13-29-12-15-4-3-5-17(23)10-15/h3-7,10-11,14,20,25H,8-9,12-13H2,1-2H3,(H,24,27)(H,26,28)