azepan-1-yl-[1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-phenylsulfanylpyridine-3-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-phenylsulfanylpyridine-3-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[2-(phenylthio)nicotinoyl]-4-piperidyl]methanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(26-15-6-1-2-7-16-26)19-12-17-27(18-13-19)24(29)21-11-8-14-25-22(21)30-20-9-4-3-5-10-20/h3-5,8-11,14,19H,1-2,6-7,12-13,15-18H2