(4-ethylphenyl)-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-[2-(phenylthio)nicotinoyl]piperazino]methanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-2-19-10-12-20(13-11-19)24(29)27-15-17-28(18-16-27)25(30)22-9-6-14-26-23(22)31-21-7-4-3-5-8-21/h3-14H,2,15-18H2,1H3