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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carbothioamide Traditional Name: 4-(3-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(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN5S/c1-16-13-17(2)26(23-16)8-4-7-22-20(27)25-11-9-24(10-12-25)15-18-5-3-6-19(21)14-18/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,22,27)