N-(4-tert-butylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-tert-butylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-21(2,3)17-5-7-18(8-6-17)24-20(27)26-12-10-25(11-13-26)19-9-4-16(14-22)15-23-19/h4-9,15H,10-13H2,1-3H3,(H,24,27)