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diethyl-[2-[4-[(3-ethylphenyl)carbamothioylamino]phenyl]carbonyloxyethyl]azanium

diethyl-[2-[4-[(3-ethylphenyl)carbamothioylamino]phenyl]carbonyloxyethyl]azanium

Systemtic Name:diethyl-[2-[4-[(3-ethylphenyl)carbamothioylamino]phenyl]carbonyloxyethyl]azanium
Openeye Name:diethyl-[2-[4-[(3-ethylphenyl)carbamothioylamino]benzoyl]oxyethyl]ammonium
CAS Name:diethyl-[2-[[4-[[(3-ethylanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl]ammonium
IUPAC Name:diethyl-[2-[4-[(3-ethylphenyl)carbamothioylamino]benzoyl]oxyethyl]azanium
Traditional Name:diethyl-[2-[4-[(3-ethylphenyl)thiocarbamoylamino]benzoyl]oxyethyl]ammonium
Formula: C22H30N3O2S+
MolecularWeight: 400.5575
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC[NH+](CC)CC


Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC[NH+](CC)CC


InChI

InChI=1S/C22H29N3O2S/c1-4-17-8-7-9-20(16-17)24-22(28)23-19-12-10-18(11-13-19)21(26)27-15-14-25(5-2)6-3/h7-13,16H,4-6,14-15H2,1-3H3,(H2,23,24,28)/p+1


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