N-[2,4-bis(fluoranyl)phenyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H23F2N5S MolecularWeight: 379.470526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F)C

InChI

InChI=1S/C18H23F2N5S/c1-3-25-13(2)14(11-21-25)12-23-6-8-24(9-7-23)18(26)22-17-5-4-15(19)10-16(17)20/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,26)