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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C

InChI

InChI=1S/C19H27N5OS/c1-4-25-18-7-5-17(6-8-18)20-19(26)24-11-9-23(10-12-24)14-16-13-22(3)21-15(16)2/h5-8,13H,4,9-12,14H2,1-3H3,(H,20,26)