1-(azepan-1-yl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(phenylthio)nicotinoyl]piperazino]ethanone Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2S/c29-22(27-13-6-1-2-7-14-27)19-26-15-17-28(18-16-26)24(30)21-11-8-12-25-23(21)31-20-9-4-3-5-10-20/h3-5,8-12H,1-2,6-7,13-19H2