5-ethylsulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[[4-(2-pyridyl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H22N4O3S2/c1-2-28(24,25)15-6-7-17-16(13-15)23(19(27)26-17)14-21-9-11-22(12-10-21)18-5-3-4-8-20-18/h3-8,13H,2,9-12,14H2,1H3