N-[bis(azanyl)methylidene]-2-(butylamino)-4-chloranyl-5-sulfamoyl-benzamide dihydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-2-(butylamino)-4-chloranyl-5-sulfamoyl-benzamide dihydrochloride Openeye Name: 2-(butylamino)-4-chloro-N-(diaminomethylene)-5-sulfamoyl-benzamide dihydrochloride CAS Name: 2-(butylamino)-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide dihydrochloride IUPAC Name: 2-(butylamino)-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide dihydrochloride Traditional Name: 2-(butylamino)-4-chloro-N-(diaminomethylene)-5-sulfamoyl-benzamide dihydrochloride Formula: C12H20Cl3N5O3S MolecularWeight: 420.7429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)N)Cl.Cl.Cl

Isomeric SMILES

CCCCNC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)N)Cl.Cl.Cl

InChI

InChI=1S/C12H18ClN5O3S.2ClH/c1-2-3-4-17-9-6-8(13)10(22(16,20)21)5-7(9)11(19)18-12(14)15;;/h5-6,17H,2-4H2,1H3,(H2,16,20,21)(H4,14,15,18,19);2*1H