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

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide Openeye Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide CAS Name: N-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-4-methyl-1-piperidinecarbothioamide IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methylpiperidine-1-carbothioamide Traditional Name: N-[1-(3-fluorobenzyl)pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide Formula: C17H21FN4S MolecularWeight: 332.438843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1CCN(CC1)C(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H21FN4S/c1-13-5-7-21(8-6-13)17(23)20-16-10-19-22(12-16)11-14-3-2-4-15(18)9-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,23)