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

Systemtic Name: S-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate Openeye Name: S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate CAS Name: 4-(4-fluorophenyl)-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-(4-fluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbothioic acid S-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl) ester Formula: C24H29FN2O3S MolecularWeight: 444.562063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O3S/c1-15-16(2)22-20(17(3)21(15)28)9-10-24(4,30-22)31-23(29)27-13-11-26(12-14-27)19-7-5-18(25)6-8-19/h5-8,28H,9-14H2,1-4H3