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

Systemtic Name: S-(3-ethyl-5,7,8-trimethyl-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate Openeye Name: S-(3-ethyl-6-hydroxy-5,7,8-trimethyl-chroman-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbothioic acid S-(3-ethyl-6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl) ester IUPAC Name: S-(3-ethyl-6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbothioic acid S-(3-ethyl-6-hydroxy-5,7,8-trimethyl-chroman-2-yl) ester Formula: C25H31FN2O3S MolecularWeight: 458.588643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(C(=C2OC1SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C)C)O)C

Isomeric SMILES

CCC1CC2=C(C(=C(C(=C2OC1SC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C)C)O)C

InChI

InChI=1S/C25H31FN2O3S/c1-5-18-14-21-17(4)22(29)15(2)16(3)23(21)31-24(18)32-25(30)28-12-10-27(11-13-28)20-8-6-19(26)7-9-20/h6-9,18,24,29H,5,10-14H2,1-4H3