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

Systemtic Name: N-(4-dimethylaminophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-dimethylaminophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-dimethylaminophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-dimethylaminophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-dimethylaminophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H22N6S MolecularWeight: 342.46178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6S/c1-21(2)15-6-4-14(5-7-15)20-17(24)23-12-10-22(11-13-23)16-18-8-3-9-19-16/h3-9H,10-13H2,1-2H3,(H,20,24)