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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H25N5OS MolecularWeight: 371.4997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C19H25N5OS/c1-14-17(12-22(3)21-14)13-23-8-10-24(11-9-23)19(26)20-18-6-4-16(5-7-18)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,20,26)