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

Systemtic Name: N-(4-bromophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C15H16BrN5S MolecularWeight: 378.29004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN5S/c16-12-2-4-13(5-3-12)19-15(22)21-10-8-20(9-11-21)14-17-6-1-7-18-14/h1-7H,8-11H2,(H,19,22)