N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperidin-4-yl]benzamide Openeye Name: N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]-4-piperidyl]benzamide CAS Name: N-[1-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]-4-piperidyl]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-18-10-11-19(2)23(17-18)32-25-22(9-6-14-27-25)26(31)29-15-12-21(13-16-29)28-24(30)20-7-4-3-5-8-20/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,28,30)