N-[bis(azanyl)methylidene]-4-chloranyl-3-(ethylcarbamothioylsulfamoyl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-4-chloranyl-3-(ethylcarbamothioylsulfamoyl)benzamide hydrochloride Openeye Name: 4-chloro-N-(diaminomethylene)-3-(ethylcarbamothioylsulfamoyl)benzamide hydrochloride CAS Name: 4-chloro-N-(diaminomethylidene)-3-[[ethylamino(sulfanylidene)methyl]sulfamoyl]benzamide hydrochloride IUPAC Name: 4-chloro-N-(diaminomethylidene)-3-(ethylcarbamothioylsulfamoyl)benzamide hydrochloride Traditional Name: 4-chloro-N-(diaminomethylene)-3-(ethylthiocarbamoylsulfamoyl)benzamide hydrochloride Formula: C11H15Cl2N5O3S2 MolecularWeight: 400.3045

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)Cl.Cl

Isomeric SMILES

CCNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)Cl.Cl

InChI

InChI=1S/C11H14ClN5O3S2.ClH/c1-2-15-11(21)17-22(19,20)8-5-6(3-4-7(8)12)9(18)16-10(13)14;/h3-5H,2H2,1H3,(H2,15,17,21)(H4,13,14,16,18);1H