N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,2-diphenyl-ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,2-diphenyl-ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,2-diphenyl-acetamide CAS Name: N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-2,2-diphenylacetamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-2,2-diphenyl-acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c26-21(24-22(28)23-12-7-13-25-14-16-27-17-15-25)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,23,24,26,28)/p+1