3-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22ClN4O2S+ MolecularWeight: 345.86808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC=CC=C1Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC=CC=C1Cl

InChI

InChI=1S/C14H21ClN4O2S/c1-19(2)9-5-8-16-14(22)18-17-13(20)10-21-12-7-4-3-6-11(12)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,20)(H2,16,18,22)/p+1