N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C25H26BrN5O2S MolecularWeight: 540.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C25H26BrN5O2S/c1-17-14-18(2)28-25(27-17)34-16-23(32)29-21-6-8-22(9-7-21)30-10-12-31(13-11-30)24(33)19-4-3-5-20(26)15-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,32)