5-[bis(azanyl)methylideneamino]-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid Traditional Name: 5-guanidino-2-[(4-sulfamoylphenyl)thiocarbamoylamino]valeric acid Formula: C13H20N6O4S2 MolecularWeight: 388.4657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H20N6O4S2/c14-12(15)17-7-1-2-10(11(20)21)19-13(24)18-8-3-5-9(6-4-8)25(16,22)23/h3-6,10H,1-2,7H2,(H,20,21)(H4,14,15,17)(H2,16,22,23)(H2,18,19,24)