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4-[(dodecanoylamino)carbamothioylamino]benzenesulfonate

4-[(dodecanoylamino)carbamothioylamino]benzenesulfonate

Systemtic Name:4-[(dodecanoylamino)carbamothioylamino]benzenesulfonate
Openeye Name:4-[(dodecanoylamino)carbamothioylamino]benzenesulfonate
CAS Name:4-[[(1-oxododecylhydrazo)-sulfanylidenemethyl]amino]benzenesulfonate
IUPAC Name:4-[(dodecanoylamino)carbamothioylamino]benzenesulfonate
Traditional Name:4-[(lauroylamino)thiocarbamoylamino]besylate
Formula: C19H30N3O4S2-
MolecularWeight: 428.5892
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C19H31N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-22-19(27)20-16-12-14-17(15-13-16)28(24,25)26/h12-15H,2-11H2,1H3,(H,21,23)(H2,20,22,27)(H,24,25,26)/p-1


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