2-[4-[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[2-[(2-chlorophenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-[(2-chlorophenyl)thio]nicotinoyl]piperazino]-1-morpholino-ethanone Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4Cl

InChI

InChI=1S/C22H25ClN4O3S/c23-18-5-1-2-6-19(18)31-21-17(4-3-7-24-21)22(29)27-10-8-25(9-11-27)16-20(28)26-12-14-30-15-13-26/h1-7H,8-16H2