4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-p-cumenyl-piperazine-1-carbothioamide Formula: C20H29N5S MolecularWeight: 371.54276

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(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5S/c1-15(2)17-5-7-19(8-6-17)21-20(26)25-11-9-24(10-12-25)14-18-13-23(4)22-16(18)3/h5-8,13,15H,9-12,14H2,1-4H3,(H,21,26)