2-(4-bromophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C19H24BrN5OS MolecularWeight: 450.39576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CSC2=CC=C(C=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CSC2=CC=C(C=C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C19H24BrN5OS/c20-16-3-5-17(6-4-16)27-15-18(26)21-9-2-10-24-11-13-25(14-12-24)19-22-7-1-8-23-19/h1,3-8H,2,9-15H2,(H,21,26)