2-[2-bromanyl-6-ethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N,N-dimethyl-ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]phenoxy]-N,N-dimethyl-acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N,N-dimethylacetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]phenoxy]-N,N-dimethyl-acetamide Formula: C20H31BrN5O4S+ MolecularWeight: 517.46024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=S)NCC[NH+]2CCOCC2)Br)OCC(=O)N(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N\NC(=S)NCC[NH+]2CCOCC2)Br)OCC(=O)N(C)C

InChI

InChI=1S/C20H30BrN5O4S/c1-4-29-17-12-15(11-16(21)19(17)30-14-18(27)25(2)3)13-23-24-20(31)22-5-6-26-7-9-28-10-8-26/h11-13H,4-10,14H2,1-3H3,(H2,22,24,31)/p+1/b23-13-