2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]ethyl-diisopropyl-ammonium Formula: C15H24ClFN3S+ MolecularWeight: 332.887563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClFN3S/c1-10(2)20(11(3)4)8-7-18-15(21)19-12-5-6-14(17)13(16)9-12/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,21)/p+1