(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(ethylcarbamothioylamino)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene-(ethylcarbamothioylamino)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene-(ethylcarbamothioylamino)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-[[ethylamino(sulfanylidene)methyl]amino]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene-(ethylcarbamothioylamino)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzylidene)-(ethylthiocarbamoylamino)ammonium Formula: C18H21BrN3O2S+ MolecularWeight: 423.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N[NH+]=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCNC(=S)N[NH+]=CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H20BrN3O2S/c1-3-20-18(25)22-21-11-14-9-15(19)17(16(10-14)23-2)24-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H2,20,22,25)/p+1