4-(5-cyanopyridin-2-yl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5O2S/c1-25-15-4-5-17(26-2)16(11-15)22-19(27)24-9-7-23(8-10-24)18-6-3-14(12-20)13-21-18/h3-6,11,13H,7-10H2,1-2H3,(H,22,27)