(4-ethoxyphenyl)-[3-methoxy-4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide

Systemtic Name: (4-ethoxyphenyl)-[3-methoxy-4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide Openeye Name: (4-ethoxyphenyl)-[3-methoxy-4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonyl-azanide CAS Name: (4-ethoxyphenyl)-[3-methoxy-4-[[(3-pyridin-1-iumylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylazanide IUPAC Name: (4-ethoxyphenyl)-[3-methoxy-4-(pyridin-1-ium-3-ylcarbamothioylamino)phenyl]sulfonylazanide Traditional Name: [3-methoxy-4-(pyridin-1-ium-3-ylthiocarbamoylamino)phenyl]sulfonyl-p-phenetyl-azanide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)NC(=S)NC3=C[NH+]=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)NC(=S)NC3=C[NH+]=CC=C3)OC

InChI

InChI=1S/C21H21N4O4S2/c1-3-29-17-8-6-15(7-9-17)25-31(26,27)18-10-11-19(20(13-18)28-2)24-21(30)23-16-5-4-12-22-14-16/h4-14H,3H2,1-2H3,(H2,23,24,30)/q-1/p+1