N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-homoveratryl-piperazine-1-carbothioamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H33N5O2S/c1-5-27-16-19(17(2)24-27)15-25-10-12-26(13-11-25)22(30)23-9-8-18-6-7-20(28-3)21(14-18)29-4/h6-7,14,16H,5,8-13,15H2,1-4H3,(H,23,30)