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

Systemtic Name: 2-[[(3-chloranyl-4-fluoranyl-phenyl)-[(3-methylthiophen-2-yl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-chloro-4-fluoro-phenyl)-[(3-methyl-2-thienyl)methyl]carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-fluoro-N-[(3-methyl-2-thiophenyl)methyl]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-chloro-4-fluorophenyl)-[(3-methylthiophen-2-yl)methyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)-[(3-methyl-2-thienyl)methyl]thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C17H22ClFN3S2+ MolecularWeight: 386.958083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClFN3S2/c1-12-6-9-24-16(12)11-22(17(23)20-7-8-21(2)3)13-4-5-15(19)14(18)10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,23)/p+1