N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCCCN3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C21H31N5S/c1-17-5-7-20(8-6-17)16-24-11-13-25(14-12-24)21(27)22-9-4-10-26-19(3)15-18(2)23-26/h5-8,15H,4,9-14,16H2,1-3H3,(H,22,27)