2-[5-[(3,5-ditert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[5-[(3,5-ditert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethyl-diethyl-azanium Openeye Name: 2-[5-[(3,5-ditert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl-diethyl-ammonium CAS Name: 2-[5-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]ethyl-diethylammonium IUPAC Name: 2-[5-[(3,5-ditert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl-diethylazanium Traditional Name: 2-[5-[(3,5-ditert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl-diethyl-ammonium Formula: C23H37N4OS+ MolecularWeight: 417.63108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C23H36N4OS/c1-9-27(10-2)12-11-19-25-26-21(29-19)24-20(28)16-13-17(22(3,4)5)15-18(14-16)23(6,7)8/h13-15H,9-12H2,1-8H3,(H,24,26,28)/p+1