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

Systemtic Name: N-(2-methylpropyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-isobutyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2-methylpropyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methylpropyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-isobutyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C16H29N5S MolecularWeight: 323.49996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCC(C)C

InChI

InChI=1S/C16H29N5S/c1-12(2)10-17-16(22)21-8-6-20(7-9-21)11-15-13(3)18-19(5)14(15)4/h12H,6-11H2,1-5H3,(H,17,22)