ethanedioate; N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine

Systemtic Name: ethanedioate; N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine Openeye Name: N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine; oxalate CAS Name: N-methyl-1-[2-(phenylthio)phenyl]-2-propanamine; oxalate IUPAC Name: N-methyl-1-(2-phenylsulfanylphenyl)propan-2-amine; oxalate Traditional Name: methyl-[1-methyl-2-[2-(phenylthio)phenyl]ethyl]amine; oxalate Formula: C18H19NO4S-2 MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1SC2=CC=CC=C2)NC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1SC2=CC=CC=C2)NC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H19NS.C2H2O4/c1-13(17-2)12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15;3-1(4)2(5)6/h3-11,13,17H,12H2,1-2H3;(H,3,4)(H,5,6)/p-2