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diethyl-[2-[4-(phenethylcarbamothioylamino)phenyl]carbonyloxyethyl]azanium

diethyl-[2-[4-(phenethylcarbamothioylamino)phenyl]carbonyloxyethyl]azanium

Systemtic Name:diethyl-[2-[4-(phenethylcarbamothioylamino)phenyl]carbonyloxyethyl]azanium
Openeye Name:diethyl-[2-[4-(phenethylcarbamothioylamino)benzoyl]oxyethyl]ammonium
CAS Name:diethyl-[2-[oxo-[4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]methoxy]ethyl]ammonium
IUPAC Name:diethyl-[2-[4-(phenethylcarbamothioylamino)benzoyl]oxyethyl]azanium
Traditional Name:diethyl-[2-[4-(phenethylthiocarbamoylamino)benzoyl]oxyethyl]ammonium
Formula: C22H30N3O2S+
MolecularWeight: 400.5575
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2


Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2


InChI

InChI=1S/C22H29N3O2S/c1-3-25(4-2)16-17-27-21(26)19-10-12-20(13-11-19)24-22(28)23-15-14-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H2,23,24,28)/p+1


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