[2-[4-(4,6-dimethylpyridin-2-yl)piperazin-1-yl]carbothioyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2-[4-(4,6-dimethylpyridin-2-yl)piperazin-1-yl]carbothioyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2-[4-(4,6-dimethyl-2-pyridyl)piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] acetate CAS Name: acetic acid [2-[[4-(4,6-dimethyl-2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-[4-(4,6-dimethylpyridin-2-yl)piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2-[4-(4,6-dimethyl-2-pyridyl)piperazine-1-carbothioyl]-2,5,7,8-tetramethyl-chroman-6-yl] ester Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)N2CCN(CC2)C(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1)N2CCN(CC2)C(=S)C3(CCC4=C(C(=C(C(=C4O3)C)C)OC(=O)C)C)C)C

InChI

InChI=1S/C27H35N3O3S/c1-16-14-17(2)28-23(15-16)29-10-12-30(13-11-29)26(34)27(7)9-8-22-20(5)24(32-21(6)31)18(3)19(4)25(22)33-27/h14-15H,8-13H2,1-7H3