4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)C)C

InChI

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