2-[4-(butylcarbamothioylamino)phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-(butylcarbamothioylamino)phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-(butylcarbamothioylamino)benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[butylamino(sulfanylidene)methyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-(butylcarbamothioylamino)benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-(butylthiocarbamoylamino)benzoyl]oxyethyl-diethyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CC

InChI

InChI=1S/C18H29N3O2S/c1-4-7-12-19-18(24)20-16-10-8-15(9-11-16)17(22)23-14-13-21(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H2,19,20,24)/p+1