dimethyl-[3-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(4-propan-2-yloxyphenyl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: 3-[[(4-isopropoxybenzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(4-propan-2-yloxybenzoyl)amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(4-isopropoxybenzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H26N4O2S/c1-12(2)22-14-8-6-13(7-9-14)15(21)18-19-16(23)17-10-5-11-20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,21)(H2,17,19,23)/p+1