N-[4-[(prop-2-enylcarbamothioylamino)sulfamoyl]phenyl]ethanamide; sulfuric acid

Systemtic Name: N-[4-[(prop-2-enylcarbamothioylamino)sulfamoyl]phenyl]ethanamide; sulfuric acid Openeye Name: N-[4-[(allylcarbamothioylamino)sulfamoyl]phenyl]acetamide; sulfuric acid CAS Name: N-[4-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]sulfamoyl]phenyl]acetamide; sulfuric acid IUPAC Name: N-[4-[(prop-2-enylcarbamothioylamino)sulfamoyl]phenyl]acetamide; sulfuric acid Traditional Name: N-[4-[(allylthiocarbamoylamino)sulfamoyl]phenyl]acetamide; sulfuric acid Formula: C12H18N4O7S3 MolecularWeight: 426.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC=C.OS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NCC=C.OS(=O)(=O)O

InChI

InChI=1S/C12H16N4O3S2.H2O4S/c1-3-8-13-12(20)15-16-21(18,19)11-6-4-10(5-7-11)14-9(2)17;1-5(2,3)4/h3-7,16H,1,8H2,2H3,(H,14,17)(H2,13,15,20);(H2,1,2,3,4)