3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-4-fluorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C17H22ClFN3S2+ MolecularWeight: 386.958083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H21ClFN3S2/c1-21(2)8-4-9-22(12-14-5-3-10-24-14)17(23)20-13-6-7-16(19)15(18)11-13/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,20,23)/p+1