1-[[4-ethyl-5-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H33N5O2S MolecularWeight: 407.57332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCC(CC2)C)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCC(CC2)C)CN3CCCCCC3=O

InChI

InChI=1S/C20H33N5O2S/c1-4-25-17(14-24-11-7-5-6-8-18(24)26)21-22-20(25)28-16(3)19(27)23-12-9-15(2)10-13-23/h15-16H,4-14H2,1-3H3