2-[[5-[[(4-tert-butylphenyl)carbonylamino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-[[(4-tert-butylphenyl)carbonylamino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[5-[[[(4-tert-butylphenyl)-oxomethyl]amino]methyl]-1,3,4-oxadiazol-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]thio]ethyl-diethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NN=C(O1)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NN=C(O1)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-6-24(7-2)12-13-27-19-23-22-17(26-19)14-21-18(25)15-8-10-16(11-9-15)20(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,21,25)/p+1