4-(cyclopropylmethyl)-1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one Openeye Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one CAS Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-2-piperazinone IUPAC Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one Traditional Name: 4-(cyclopropylmethyl)-1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]piperazin-2-one Formula: C20H23F3N2O3S MolecularWeight: 428.46843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4CC4)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4CC4)O)C

InChI

InChI=1S/C20H23F3N2O3S/c1-19(2)18(27)17(25-8-7-24(11-16(25)26)10-12-3-4-12)14-9-13(29-20(21,22)23)5-6-15(14)28-19/h5-6,9,12,27H,3-4,7-8,10-11H2,1-2H3