N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-pyrazolyl]-4-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C22H28FN7S MolecularWeight: 441.568023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H28FN7S/c1-3-30-17(2)19(12-25-30)15-29-16-21(13-24-29)26-22(31)28-10-8-27(9-11-28)14-18-4-6-20(23)7-5-18/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H,26,31)