3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-chloro-4-fluorophenyl)carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]propyl]-methyl-ammonium Formula: C18H22ClFN3S+ MolecularWeight: 366.903783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NC1=CC(=C(C=C1)F)Cl)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NC1=CC(=C(C=C1)F)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H21ClFN3S/c1-23(13-14-6-3-2-4-7-14)11-5-10-21-18(24)22-15-8-9-17(20)16(19)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,22,24)/p+1