2-azanyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-amino-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]-3-sulfanylpropanamide Traditional Name: 2-amino-3-mercapto-N-[2-(4-sulfamoylphenyl)ethylthiocarbamoyl]propionamide Formula: C12H18N4O3S3 MolecularWeight: 362.49132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S3/c13-10(7-20)11(17)16-12(21)15-6-5-8-1-3-9(4-2-8)22(14,18)19/h1-4,10,20H,5-7,13H2,(H2,14,18,19)(H2,15,16,17,21)