ethanedioic acid; N-ethyl-N-methyl-2-(3-phenylquinolin-2-yl)sulfanyl-ethanamine

Systemtic Name: ethanedioic acid; N-ethyl-N-methyl-2-(3-phenylquinolin-2-yl)sulfanyl-ethanamine Openeye Name: N-ethyl-N-methyl-2-[(3-phenyl-2-quinolyl)sulfanyl]ethanamine; oxalic acid CAS Name: N-ethyl-N-methyl-2-[(3-phenyl-2-quinolinyl)thio]ethanamine; oxalic acid IUPAC Name: N-ethyl-N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine; oxalic acid Traditional Name: ethyl-methyl-[2-[(3-phenyl-2-quinolyl)thio]ethyl]amine; oxalic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2S.C2H2O4/c1-3-22(2)13-14-23-20-18(16-9-5-4-6-10-16)15-17-11-7-8-12-19(17)21-20;3-1(4)2(5)6/h4-12,15H,3,13-14H2,1-2H3;(H,3,4)(H,5,6)