2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-chloro-2-[(4-fluorophenyl)thio]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-chloro-2-[(4-fluorophenyl)thio]phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H20ClFN3S2+ MolecularWeight: 384.942203

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)Cl)SC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)Cl)SC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19ClFN3S2/c1-22(2)10-9-20-17(23)21-15-11-12(18)3-8-16(15)24-14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,20,21,23)/p+1