N-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-benzamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O4S/c1-26-15-8-6-14(7-9-15)18(25)20-12-16-21-22-19(27-16)28-13-17(24)23-10-4-2-3-5-11-23/h6-9H,2-5,10-13H2,1H3,(H,20,25)