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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-2-3-4-17-5-8-19(9-6-17)24-21(27)26-13-11-25(12-14-26)20-10-7-18(15-22)16-23-20/h5-10,16H,2-4,11-14H2,1H3,(H,24,27)