2-[2-(4-chlorophenyl)sulfanylethoxy]-N-(phenylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethoxy]-N-(phenylmethyl)ethanamine; ethanedioic acid Openeye Name: N-benzyl-2-[2-(4-chlorophenyl)sulfanylethoxy]ethanamine; oxalic acid CAS Name: 2-[2-[(4-chlorophenyl)thio]ethoxy]-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-[2-(4-chlorophenyl)sulfanylethoxy]ethanamine; oxalic acid Traditional Name: benzyl-[2-[2-[(4-chlorophenyl)thio]ethoxy]ethyl]amine; oxalic acid Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCOCCSC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCOCCSC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20ClNOS.C2H2O4/c18-16-6-8-17(9-7-16)21-13-12-20-11-10-19-14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-9,19H,10-14H2;(H,3,4)(H,5,6)