ethyl 4-[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-bromophenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-bromophenyl)thio]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-2-26-19(25)23-12-10-22(11-13-23)18(24)16-4-3-9-21-17(16)27-15-7-5-14(20)6-8-15/h3-9H,2,10-13H2,1H3