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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H28N4S/c1-3-4-7-18-9-10-19(17(2)16-18)23-21(26)25-14-12-24(13-15-25)20-8-5-6-11-22-20/h5-6,8-11,16H,3-4,7,12-15H2,1-2H3,(H,23,26)