3-[[(3-chloranyl-4-fluoranyl-phenyl)-[(3-methylthiophen-2-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3-chloranyl-4-fluoranyl-phenyl)-[(3-methylthiophen-2-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3-chloro-4-fluoro-phenyl)-[(3-methyl-2-thienyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-chloro-4-fluoro-N-[(3-methyl-2-thiophenyl)methyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3-chloro-4-fluorophenyl)-[(3-methylthiophen-2-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3-chloro-4-fluoro-phenyl)-[(3-methyl-2-thienyl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C18H24ClFN3S2+ MolecularWeight: 400.984663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C2=CC(=C(C=C2)F)Cl)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(SC=C1)CN(C2=CC(=C(C=C2)F)Cl)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H23ClFN3S2/c1-13-7-10-25-17(13)12-23(14-5-6-16(20)15(19)11-14)18(24)21-8-4-9-22(2)3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,24)/p+1