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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5S/c1-3-4-6-17-7-8-18(16(2)15-17)23-20(26)25-13-11-24(12-14-25)19-21-9-5-10-22-19/h5,7-10,15H,3-4,6,11-14H2,1-2H3,(H,23,26)