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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)NC(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)NC(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C

InChI

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