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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-pyrazin-2-yl-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=CN=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5S/c1-3-4-5-17-6-7-18(16(2)14-17)23-20(26)25-12-10-24(11-13-25)19-15-21-8-9-22-19/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,26)