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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H24ClN5S MolecularWeight: 377.93466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H24ClN5S/c1-14-16(12-22(2)21-14)13-23-7-9-24(10-8-23)18(25)20-11-15-3-5-17(19)6-4-15/h3-6,12H,7-11,13H2,1-2H3,(H,20,25)