[5-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]carbamoyl]-2-furyl]methyl-dimethyl-ammonium CAS Name: [5-[[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-2-furanyl]methyl-dimethylammonium IUPAC Name: [5-[[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethylazanium Traditional Name: [5-[[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]carbamoyl]-2-furyl]methyl-dimethyl-ammonium Formula: C17H22ClN4O2S+ MolecularWeight: 381.90018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=CC=C(O2)C[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=CC=C(O2)C[NH+](C)C)C

InChI

InChI=1S/C17H21ClN4O2S/c1-10-7-11(2)15(13(18)8-10)19-17(25)21-20-16(23)14-6-5-12(24-14)9-22(3)4/h5-8H,9H2,1-4H3,(H,20,23)(H2,19,21,25)/p+1