3-(4-cinnolin-4-ylsulfanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-cinnolin-4-ylsulfanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(4-cinnolin-4-ylsulfanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-[4-(4-cinnolinylthio)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-(4-cinnolin-4-ylsulfanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-[4-(cinnolin-4-ylthio)phenoxy]propyl-homoveratryl-methyl-amine; oxalic acid Formula: C30H33N3O7S MolecularWeight: 579.66392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)SC2=CN=NC3=CC=CC=C32)CCC4=CC(=C(C=C4)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)SC2=CN=NC3=CC=CC=C32)CCC4=CC(=C(C=C4)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3O3S.C2H2O4/c1-31(17-15-21-9-14-26(32-2)27(19-21)33-3)16-6-18-34-22-10-12-23(13-11-22)35-28-20-29-30-25-8-5-4-7-24(25)28;3-1(4)2(5)6/h4-5,7-14,19-20H,6,15-18H2,1-3H3;(H,3,4)(H,5,6)