[4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)phenyl]sulfonyl-quinoxalin-2-yl-azanide

Systemtic Name: [4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)phenyl]sulfonyl-quinoxalin-2-yl-azanide Openeye Name: [4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)phenyl]sulfonyl-quinoxalin-2-yl-azanide CAS Name: [4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-quinoxalinyl)azanide IUPAC Name: [4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)phenyl]sulfonyl-quinoxalin-2-ylazanide Traditional Name: [4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)phenyl]sulfonyl-quinoxalin-2-yl-azanide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H24N6O3S2/c28-32(29,26-20-15-23-18-3-1-2-4-19(18)25-20)17-7-5-16(6-8-17)24-21(31)22-9-10-27-11-13-30-14-12-27/h1-8,15H,9-14H2,(H3,22,24,25,26,31)