2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]pentanamide Openeye Name: 2-amino-5-guanidino-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]pentanamide Traditional Name: 2-amino-5-guanidino-N-[2-(4-sulfamoylphenyl)ethylthiocarbamoyl]valeramide Formula: C15H25N7O3S2 MolecularWeight: 415.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NC(=O)C(CCCN=C(N)N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)NC(=O)C(CCCN=C(N)N)N)S(=O)(=O)N

InChI

InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)