[4-[2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[2-[(4-bromophenyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-[(4-bromobenzyl)thio]nicotinoyl]piperazino]-phenyl-methanone Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2S/c25-20-10-8-18(9-11-20)17-31-22-21(7-4-12-26-22)24(30)28-15-13-27(14-16-28)23(29)19-5-2-1-3-6-19/h1-12H,13-17H2