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

Systemtic Name: [2-[(4,6-dimethylpyridin-2-yl)-(2-methylpropyl)carbamothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-[(4,6-dimethyl-2-pyridyl)-isobutyl-carbamothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[[(4,6-dimethyl-2-pyridinyl)-(2-methylpropyl)amino]-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-[(4,6-dimethylpyridin-2-yl)-(2-methylpropyl)carbamothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-[(4,6-dimethyl-2-pyridyl)-isobutyl-thiocarbamoyl]-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)N(CC(C)C)C(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1)N(CC(C)C)C(=S)C2(CCC3=C(C(=C(C(=C3O2)C)C)OC(=O)C)C)C)C

InChI

InChI=1S/C27H36N2O3S/c1-15(2)14-29(23-13-16(3)12-17(4)28-23)26(33)27(9)11-10-22-20(7)24(31-21(8)30)18(5)19(6)25(22)32-27/h12-13,15H,10-11,14H2,1-9H3