2-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(5-chloro-2-methoxy-benzoyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(5-chloro-2-methoxybenzoyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(5-chloro-2-methoxy-benzoyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H20ClN4O2S+ MolecularWeight: 331.8415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)OC

InChI

InChI=1S/C13H19ClN4O2S/c1-18(2)7-6-15-13(21)17-16-12(19)10-8-9(14)4-5-11(10)20-3/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H2,15,17,21)/p+1