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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-sec-butylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-sec-butylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C22H33N5S MolecularWeight: 399.59592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H33N5S/c1-6-16(2)19-7-9-20(10-8-19)23-22(28)27-13-11-26(12-14-27)15-21-17(3)24-25(5)18(21)4/h7-10,16H,6,11-15H2,1-5H3,(H,23,28)