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

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylene]ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzylidene]ammonium Formula: C19H20ClFN3O2S+ MolecularWeight: 408.897403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H19ClFN3O2S/c1-3-9-22-19(27)24-23-11-13-7-8-17(18(10-13)25-2)26-12-14-15(20)5-4-6-16(14)21/h3-8,10-11H,1,9,12H2,2H3,(H2,22,24,27)/p+1