4-(5-cyanopyridin-2-yl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-o-anisyl-piperazine-1-carbothioamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5OS/c1-25-17-5-3-2-4-16(17)14-22-19(26)24-10-8-23(9-11-24)18-7-6-15(12-20)13-21-18/h2-7,13H,8-11,14H2,1H3,(H,22,26)