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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C22H27N5S/c1-3-4-5-18-6-8-20(17(2)14-18)25-22(28)27-12-10-26(11-13-27)21-9-7-19(15-23)16-24-21/h6-9,14,16H,3-5,10-13H2,1-2H3,(H,25,28)