N-(4-butylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C21H31N5S MolecularWeight: 385.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

InChI

InChI=1S/C21H31N5S/c1-4-5-6-18-7-9-20(10-8-18)22-21(27)26-13-11-25(12-14-26)16-19-15-24(3)23-17(19)2/h7-10,15H,4-6,11-14,16H2,1-3H3,(H,22,27)