(7-tert-butyl-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione

Systemtic Name: (7-tert-butyl-6-oxidanyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione Openeye Name: (7-tert-butyl-6-hydroxy-chroman-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione CAS Name: (7-tert-butyl-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-[4-(4-fluorophenyl)-1-piperazinyl]methanethione IUPAC Name: (7-tert-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanethione Traditional Name: (7-tert-butyl-6-hydroxy-chroman-2-yl)-[4-(4-fluorophenyl)piperazino]methanethione Formula: C24H29FN2O2S MolecularWeight: 428.562663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2CCC(OC2=C1)C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC(C)(C)C1=C(C=C2CCC(OC2=C1)C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C24H29FN2O2S/c1-24(2,3)19-15-22-16(14-20(19)28)4-9-21(29-22)23(30)27-12-10-26(11-13-27)18-7-5-17(25)6-8-18/h5-8,14-15,21,28H,4,9-13H2,1-3H3