N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O4S/c25-20(16-3-6-18-19(13-16)28-12-11-27-18)23-21(29)22-17-4-1-15(2-5-17)14-24-7-9-26-10-8-24/h1-6,13H,7-12,14H2,(H2,22,23,25,29)/p+1