2-(3,4-dimethoxyphenyl)sulfanyl-N-methyl-aniline; ethanedioate; propane

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-methyl-aniline; ethanedioate; propane Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-methyl-aniline; oxalate; propane CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-N-methylaniline; oxalate; propane IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-methylaniline; oxalate; propane Traditional Name: [2-[(3,4-dimethoxyphenyl)thio]phenyl]-methyl-amine; n-propane; oxalate Formula: C20H25NO6S-2 MolecularWeight: 407.4806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.CNC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC.CNC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C15H17NO2S.C3H8.C2H2O4/c1-16-12-6-4-5-7-15(12)19-11-8-9-13(17-2)14(10-11)18-3;1-3-2;3-1(4)2(5)6/h4-10,16H,1-3H3;3H2,1-2H3;(H,3,4)(H,5,6)/p-2