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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-[1-(o-tolylmethyl)pyrazol-4-yl]piperidine-1-carbothioamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-[1-(2-methylbenzyl)pyrazol-4-yl]piperidine-1-carbothioamide Formula: C24H28N4S MolecularWeight: 404.57092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4S/c1-19-7-5-6-10-22(19)17-28-18-23(16-25-28)26-24(29)27-13-11-21(12-14-27)15-20-8-3-2-4-9-20/h2-10,16,18,21H,11-15,17H2,1H3,(H,26,29)