N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S/c1-5-25-14-16(15(2)22-25)13-23-6-8-24(9-7-23)20(28)21-17-10-18(26-3)12-19(11-17)27-4/h10-12,14H,5-9,13H2,1-4H3,(H,21,28)