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

Systemtic Name: (3S)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperidine-1-carbothioamide Openeye Name: (3S)-3-methyl-N-[1-(o-tolylmethyl)pyrazol-4-yl]piperidine-1-carbothioamide CAS Name: (3S)-3-methyl-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-piperidinecarbothioamide IUPAC Name: (3S)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperidine-1-carbothioamide Traditional Name: (3S)-3-methyl-N-[1-(2-methylbenzyl)pyrazol-4-yl]piperidine-1-carbothioamide Formula: C18H24N4S MolecularWeight: 328.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)NC2=CN(N=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C18H24N4S/c1-14-6-5-9-21(11-14)18(23)20-17-10-19-22(13-17)12-16-8-4-3-7-15(16)2/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,20,23)/t14-/m0/s1