1-ethyl-3-methyl-2-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]quinoxaline-6-carboxamide

Systemtic Name: 1-ethyl-3-methyl-2-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]quinoxaline-6-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxamide CAS Name: 1-ethyl-3-methyl-2-oxo-N-[2-(phenylmethylthio)ethyl]-6-quinoxalinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)N=C(C1=O)C

InChI

InChI=1S/C21H23N3O2S/c1-3-24-19-10-9-17(13-18(19)23-15(2)21(24)26)20(25)22-11-12-27-14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)