N-(4-butan-2-ylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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