dimethyl-[3-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: 3-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H31N4O2S+ MolecularWeight: 367.52934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H30N4O2S/c1-14(2)10-13-24-16-8-6-15(7-9-16)17(23)20-21-18(25)19-11-5-12-22(3)4/h6-9,14H,5,10-13H2,1-4H3,(H,20,23)(H2,19,21,25)/p+1