N-(1,5-dimethylpyrazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-4-pyrazolyl)-4-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,5-dimethylpyrazol-4-yl)-4-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C17H22FN5S MolecularWeight: 347.453483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN5S/c1-13-16(11-19-21(13)2)20-17(24)23-9-7-22(8-10-23)12-14-3-5-15(18)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,20,24)