ethyl (2E)-2-[2-(methylcarbamothioyl)-2-quinolin-3-yl-cyclohexylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[2-(methylcarbamothioyl)-2-quinolin-3-yl-cyclohexylidene]ethanoate Openeye Name: ethyl (2E)-2-[2-(methylcarbamothioyl)-2-(3-quinolyl)cyclohexylidene]acetate CAS Name: (2E)-2-[2-[methylamino(sulfanylidene)methyl]-2-(3-quinolinyl)cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[2-(methylcarbamothioyl)-2-quinolin-3-ylcyclohexylidene]acetate Traditional Name: (2E)-2-[2-(methylthiocarbamoyl)-2-(3-quinolyl)cyclohexylidene]acetic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CCCCC1(C2=CC3=CC=CC=C3N=C2)C(=S)NC

Isomeric SMILES

CCOC(=O)/C=C/1\CCCCC1(C2=CC3=CC=CC=C3N=C2)C(=S)NC

InChI

InChI=1S/C21H24N2O2S/c1-3-25-19(24)13-16-9-6-7-11-21(16,20(26)22-2)17-12-15-8-4-5-10-18(15)23-14-17/h4-5,8,10,12-14H,3,6-7,9,11H2,1-2H3,(H,22,26)/b16-13+