N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)benzofuran-2-carboxamide CAS Name: N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)coumarilamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H21N3O3S/c21-16(15-12-13-4-1-2-5-14(13)23-15)19-17(24)18-6-3-7-20-8-10-22-11-9-20/h1-2,4-5,12H,3,6-11H2,(H2,18,19,21,24)/p+1