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

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-ethoxy-phenyl]methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium Traditional Name: [4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-benzylidene]-(phenylthiocarbamoylamino)ammonium Formula: C23H22ClFN3O2S+ MolecularWeight: 458.956083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H21ClFN3O2S/c1-2-29-22-13-16(14-26-28-23(31)27-17-7-4-3-5-8-17)11-12-21(22)30-15-18-19(24)9-6-10-20(18)25/h3-14H,2,15H2,1H3,(H2,27,28,31)/p+1