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

Systemtic Name: [2-[(4,6-dimethylpyridin-2-yl)-hexyl-carbamothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-[(4,6-dimethyl-2-pyridyl)-hexyl-carbamothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[[(4,6-dimethyl-2-pyridinyl)-hexylamino]-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-[(4,6-dimethylpyridin-2-yl)-hexylcarbamothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-[(4,6-dimethyl-2-pyridyl)-hexyl-thiocarbamoyl]-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C29H40N2O3S MolecularWeight: 496.7045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC(=CC(=N1)C)C)C(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C

Isomeric SMILES

CCCCCCN(C1=CC(=CC(=N1)C)C)C(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C

InChI

InChI=1S/C29H40N2O3S/c1-9-10-11-12-15-31(25-17-18(2)16-19(3)30-25)28(35)29(8)14-13-24-22(6)26(33-23(7)32)20(4)21(5)27(24)34-29/h16-17H,9-15H2,1-8H3