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2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium

2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name:2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
Openeye Name:2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]ethyl-diisopropyl-ammonium
CAS Name:2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium
IUPAC Name:2-[(3-fluoro-4-methylphenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium
Traditional Name:2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]ethyl-diisopropyl-ammonium
Formula: C16H27FN3S+
MolecularWeight: 312.469083
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC[NH+](C(C)C)C(C)C)F


Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC[NH+](C(C)C)C(C)C)F


InChI

InChI=1S/C16H26FN3S/c1-11(2)20(12(3)4)9-8-18-16(21)19-14-7-6-13(5)15(17)10-14/h6-7,10-12H,8-9H2,1-5H3,(H2,18,19,21)/p+1


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