N-cyclopropyl-2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazino]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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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)CC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)NC4CC4

InChI

InChI=1S/C23H28N4O2S/c1-16-5-6-17(2)20(14-16)30-22-19(4-3-9-24-22)23(29)27-12-10-26(11-13-27)15-21(28)25-18-7-8-18/h3-6,9,14,18H,7-8,10-13,15H2,1-2H3,(H,25,28)