1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-2-morpholin-4-yl-ethanone

Systemtic Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-2-morpholin-4-yl-ethanone Openeye Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-2-morpholino-ethanone CAS Name: 1-[4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-2-(4-morpholinyl)ethanone IUPAC Name: 1-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone Traditional Name: 1-[4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazino]-2-morpholino-ethanone Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)CN4CCOCC4

InChI

InChI=1S/C24H30N4O3S/c1-18-5-6-19(2)21(16-18)32-23-20(4-3-7-25-23)24(30)28-10-8-27(9-11-28)22(29)17-26-12-14-31-15-13-26/h3-7,16H,8-15,17H2,1-2H3