[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium

Systemtic Name: [3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Openeye Name: (allylcarbamothioylamino)-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]ammonium CAS Name: [3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ammonium IUPAC Name: [3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene-(prop-2-enylcarbamothioylamino)azanium Traditional Name: (allylthiocarbamoylamino)-[3-ethoxy-4-(2-fluorobenzyl)oxy-benzylidene]ammonium Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=CC=C2F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NCC=C)OCC2=CC=CC=C2F

InChI

InChI=1S/C20H22FN3O2S/c1-3-11-22-20(27)24-23-13-15-9-10-18(19(12-15)25-4-2)26-14-16-7-5-6-8-17(16)21/h3,5-10,12-13H,1,4,11,14H2,2H3,(H2,22,24,27)/p+1