2-(4-bromanylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C20H23BrN3O3S+ MolecularWeight: 465.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O3S/c21-16-3-7-18(8-4-16)27-14-19(25)23-20(28)22-17-5-1-15(2-6-17)13-24-9-11-26-12-10-24/h1-8H,9-14H2,(H2,22,23,25,28)/p+1