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

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C20H23N5S/c1-14-10-16(3)18(11-15(14)2)23-20(26)25-8-6-24(7-9-25)19-5-4-17(12-21)13-22-19/h4-5,10-11,13H,6-9H2,1-3H3,(H,23,26)