N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H26ClN5S MolecularWeight: 391.96124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H26ClN5S/c1-3-25-15(2)17(13-22-25)14-23-8-10-24(11-9-23)19(26)21-12-16-4-6-18(20)7-5-16/h4-7,13H,3,8-12,14H2,1-2H3,(H,21,26)