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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide Formula: C20H28ClN5S MolecularWeight: 405.98782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H28ClN5S/c1-16-14-17(2)26(23-16)9-3-8-22-20(27)25-12-10-24(11-13-25)15-18-4-6-19(21)7-5-18/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,27)