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

Systemtic Name: [2,5,7,8-tetramethyl-2-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2,5,7,8-tetramethyl-2-[4-(2-pyridyl)piperazine-1-carbothioyl]chroman-6-yl] acetate CAS Name: acetic acid [2,5,7,8-tetramethyl-2-[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,5,7,8-tetramethyl-2-(4-pyridin-2-ylpiperazine-1-carbothioyl)-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2,5,7,8-tetramethyl-2-[4-(2-pyridyl)piperazine-1-carbothioyl]chroman-6-yl] ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H31N3O3S/c1-16-17(2)23-20(18(3)22(16)30-19(4)29)9-10-25(5,31-23)24(32)28-14-12-27(13-15-28)21-8-6-7-11-26-21/h6-8,11H,9-10,12-15H2,1-5H3