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4-[(octadecanoylamino)carbamothioylamino]benzenesulfonic acid

4-[(octadecanoylamino)carbamothioylamino]benzenesulfonic acid

Systemtic Name:4-[(octadecanoylamino)carbamothioylamino]benzenesulfonic acid
Openeye Name:4-[(octadecanoylamino)carbamothioylamino]benzenesulfonic acid
CAS Name:4-[[(1-oxooctadecylhydrazo)-sulfanylidenemethyl]amino]benzenesulfonic acid
IUPAC Name:4-[(octadecanoylamino)carbamothioylamino]benzenesulfonic acid
Traditional Name:4-(stearamidothiocarbamoylamino)besylic acid
Formula: C25H43N3O4S2
MolecularWeight: 513.75662
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C25H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27-28-25(33)26-22-18-20-23(21-19-22)34(30,31)32/h18-21H,2-17H2,1H3,(H,27,29)(H2,26,28,33)(H,30,31,32)


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