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

Systemtic Name: 3-[[3,5-bis(fluoranyl)phenyl]carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(3,5-difluorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(3,5-difluoroanilino)-sulfanylidenemethyl]-(1H-indol-3-ylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(3,5-difluorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(3,5-difluorophenyl)thiocarbamoyl-(1H-indol-3-ylmethyl)amino]propyl-diethyl-ammonium Formula: C23H29F2N4S+ MolecularWeight: 431.564966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F2N4S/c1-3-28(4-2)10-7-11-29(16-17-15-26-22-9-6-5-8-21(17)22)23(30)27-20-13-18(24)12-19(25)14-20/h5-6,8-9,12-15,26H,3-4,7,10-11,16H2,1-2H3,(H,27,30)/p+1