6-[6-[methyl(prop-2-enyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid

Systemtic Name: 6-[6-[methyl(prop-2-enyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Openeye Name: 6-[6-[allyl(methyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid CAS Name: 6-[6-[methyl(prop-2-enyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid IUPAC Name: 6-[6-[methyl(prop-2-enyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Traditional Name: 6-[6-[allyl(methyl)amino]hexoxy]-3,4-dihydro-2H-quinoline-1-carbothioic S-acid Formula: C20H30N2O2S MolecularWeight: 362.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC2=C(C=C1)N(CCC2)C(=O)S)CC=C

Isomeric SMILES

CN(CCCCCCOC1=CC2=C(C=C1)N(CCC2)C(=O)S)CC=C

InChI

InChI=1S/C20H30N2O2S/c1-3-12-21(2)13-6-4-5-7-15-24-18-10-11-19-17(16-18)9-8-14-22(19)20(23)25/h3,10-11,16H,1,4-9,12-15H2,2H3,(H,23,25)