N-(4-bromanyl-2-chloranyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C15H15BrClN5S MolecularWeight: 412.7351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrClN5S/c16-11-2-3-13(12(17)10-11)20-15(23)22-8-6-21(7-9-22)14-18-4-1-5-19-14/h1-5,10H,6-9H2,(H,20,23)