2-[[3,5-bis(fluoranyl)phenyl]carbamothioyl-(1H-indol-3-ylmethyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]carbamothioyl-(1H-indol-3-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3,5-difluorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3,5-difluoroanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3,5-difluorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]ethyl-diethylazanium Traditional Name: 2-[(3,5-difluorophenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]ethyl-diethyl-ammonium Formula: C22H27F2N4S+ MolecularWeight: 417.538386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CNC2=CC=CC=C21)C(=S)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C22H26F2N4S/c1-3-27(4-2)9-10-28(15-16-14-25-21-8-6-5-7-20(16)21)22(29)26-19-12-17(23)11-18(24)13-19/h5-8,11-14,25H,3-4,9-10,15H2,1-2H3,(H,26,29)/p+1