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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-4-methyl-1-piperidinecarbothioamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-methylpiperidine-1-carbothioamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-4-yl]-4-methyl-piperidine-1-carbothioamide Formula: C17H21ClN4S MolecularWeight: 348.89344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4S/c1-13-6-8-21(9-7-13)17(23)20-16-10-19-22(12-16)11-14-2-4-15(18)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23)