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

Systemtic Name: N-phenethyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-phenethyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-phenethyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H29N5S MolecularWeight: 371.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H29N5S/c1-16-19(17(2)23(3)22-16)15-24-11-13-25(14-12-24)20(26)21-10-9-18-7-5-4-6-8-18/h4-8H,9-15H2,1-3H3,(H,21,26)