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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5S/c1-17-6-4-7-20(14-17)16-24-10-12-25(13-11-24)21(27)22-8-5-9-26-19(3)15-18(2)23-26/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,22,27)