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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H26ClN5S MolecularWeight: 391.96124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

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