N-[(4-chlorophenyl)methyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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