3-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(5-chloro-2-methoxy-benzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(5-chloro-2-methoxybenzoyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(5-chloro-2-methoxy-benzoyl)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)C1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN4O2S/c1-19(2)8-4-7-16-14(22)18-17-13(20)11-9-10(15)5-6-12(11)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,20)(H2,16,18,22)/p+1