N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-(4-fluorobenzyl)pyrazol-4-yl]-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H26FN5OS MolecularWeight: 439.548843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5OS/c1-30-22-4-2-3-19(13-22)15-27-9-11-28(12-10-27)23(31)26-21-14-25-29(17-21)16-18-5-7-20(24)8-6-18/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,31)