3-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24ClN4O2S+ MolecularWeight: 359.89466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NCCC[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C15H23ClN4O2S/c1-11-9-12(5-6-13(11)16)22-10-14(21)18-19-15(23)17-7-4-8-20(2)3/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,21)(H2,17,19,23)/p+1