2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide CAS Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSCC(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSCC(=O)NC3CCCCNC3=O

InChI

InChI=1S/C18H22N4O3S/c1-12-5-7-13(8-6-12)18-21-15(22-25-18)10-26-11-16(23)20-14-4-2-3-9-19-17(14)24/h5-8,14H,2-4,9-11H2,1H3,(H,19,24)(H,20,23)