N-(4-butylphenyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(6-methyl-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(6-methyl-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(6-methyl-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/c1-3-4-7-18-9-11-19(12-10-18)23-21(26)25-15-13-24(14-16-25)20-8-5-6-17(2)22-20/h5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,23,26)