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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C(=C2OC1SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C)C)O)C

Isomeric SMILES

CC1CC2=C(C(=C(C(=C2OC1SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C)C)O)C

InChI

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