N-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-(4-phenylpiperazine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-(4-phenylpiperazine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[3-(4-phenylpiperazine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C24H23BrN4O2S MolecularWeight: 511.43402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN4O2S/c25-18-8-10-19(11-9-18)27-22(30)17-32-23-21(7-4-12-26-23)24(31)29-15-13-28(14-16-29)20-5-2-1-3-6-20/h1-12H,13-17H2,(H,27,30)