(2S)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-piperidine-1-carbothioamide Openeye Name: (2S)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-piperidine-1-carbothioamide CAS Name: (2S)-N-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-2-methyl-1-piperidinecarbothioamide IUPAC Name: (2S)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpiperidine-1-carbothioamide Traditional Name: (2S)-N-[1-(4-chlorobenzyl)pyrazol-3-yl]-2-methyl-piperidine-1-carbothioamide Formula: C17H21ClN4S MolecularWeight: 348.89344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4S/c1-13-4-2-3-10-22(13)17(23)19-16-9-11-21(20-16)12-14-5-7-15(18)8-6-14/h5-9,11,13H,2-4,10,12H2,1H3,(H,19,20,23)/t13-/m0/s1