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

Systemtic Name: S-(5,7,8-trimethyl-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate Openeye Name: S-(6-hydroxy-5,7,8-trimethyl-chroman-2-yl) 4-(4-fluorophenyl)piperazine-1-carbothioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbothioic acid S-(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl) ester IUPAC Name: S-(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-(6-hydroxy-5,7,8-trimethyl-chroman-2-yl) ester Formula: C23H27FN2O3S MolecularWeight: 430.535483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O3S/c1-14-15(2)22-19(16(3)21(14)27)8-9-20(29-22)30-23(28)26-12-10-25(11-13-26)18-6-4-17(24)5-7-18/h4-7,20,27H,8-13H2,1-3H3