4-(5-cyanopyridin-2-yl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5OS/c1-14-3-5-17(25-2)16(11-14)22-19(26)24-9-7-23(8-10-24)18-6-4-15(12-20)13-21-18/h3-6,11,13H,7-10H2,1-2H3,(H,22,26)