[2,5,7,8-tetramethyl-2-[(2-methylquinolin-4-yl)carbamothioyl]-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2,5,7,8-tetramethyl-2-[(2-methylquinolin-4-yl)carbamothioyl]-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2,5,7,8-tetramethyl-2-[(2-methyl-4-quinolyl)carbamothioyl]chroman-6-yl] acetate CAS Name: acetic acid [2,5,7,8-tetramethyl-2-[[(2-methyl-4-quinolinyl)amino]-sulfanylidenemethyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,5,7,8-tetramethyl-2-[(2-methylquinolin-4-yl)carbamothioyl]-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2,5,7,8-tetramethyl-2-[(2-methyl-4-quinolyl)thiocarbamoyl]chroman-6-yl] ester Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C

InChI

InChI=1S/C26H28N2O3S/c1-14-13-22(20-9-7-8-10-21(20)27-14)28-25(32)26(6)12-11-19-17(4)23(30-18(5)29)15(2)16(3)24(19)31-26/h7-10,13H,11-12H2,1-6H3,(H,27,28,32)