N-(4-propan-2-ylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-p-cumenyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C21H31N5S MolecularWeight: 385.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H31N5S/c1-15(2)18-6-8-19(9-7-18)22-21(27)26-12-10-25(11-13-26)14-20-16(3)23-24(5)17(20)4/h6-9,15H,10-14H2,1-5H3,(H,22,27)