N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)OC)Cl

InChI

InChI=1S/C19H20ClN5O2S/c1-26-16-10-15(17(27-2)9-14(16)20)23-19(28)25-7-5-24(6-8-25)18-4-3-13(11-21)12-22-18/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,28)