S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-pyridin-2-ylpiperazine-1-carbothioate

Systemtic Name: S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-pyridin-2-ylpiperazine-1-carbothioate Openeye Name: S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) 4-(2-pyridyl)piperazine-1-carbothioate CAS Name: 4-(2-pyridinyl)-1-piperazinecarbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl) ester IUPAC Name: S-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl) 4-pyridin-2-ylpiperazine-1-carbothioate Traditional Name: 4-(2-pyridyl)piperazine-1-carbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) ester Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C4=CC=CC=N4)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)SC(=O)N3CCN(CC3)C4=CC=CC=N4)C)O

InChI

InChI=1S/C23H29N3O3S/c1-15-16(2)21-18(17(3)20(15)27)8-9-23(4,29-21)30-22(28)26-13-11-25(12-14-26)19-7-5-6-10-24-19/h5-7,10,27H,8-9,11-14H2,1-4H3