2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C

InChI

InChI=1S/C22H27N3O3S/c1-16-11-17(2)13-20(12-16)28-15-21(26)24-22(29)23-19-5-3-18(4-6-19)14-25-7-9-27-10-8-25/h3-6,11-13H,7-10,14-15H2,1-2H3,(H2,23,24,26,29)/p+1