N-(4-butylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C19H25N5S MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5S/c1-2-3-5-16-6-8-17(9-7-16)22-19(25)24-14-12-23(13-15-24)18-20-10-4-11-21-18/h4,6-11H,2-3,5,12-15H2,1H3,(H,22,25)