[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-ethoxy-phenyl]methylene]ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-benzylidene]ammonium Formula: C20H22ClFN3O2S+ MolecularWeight: 422.923983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C20H21ClFN3O2S/c1-3-10-23-20(28)25-24-12-14-8-9-18(19(11-14)26-4-2)27-13-15-16(21)6-5-7-17(15)22/h3,5-9,11-12H,1,4,10,13H2,2H3,(H2,23,25,28)/p+1