potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate

Systemtic Name: potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate Openeye Name: potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate CAS Name: potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)ethylidene]-1,3-benzoxazol-3-yl]-1-butanesulfonate IUPAC Name: potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate Traditional Name: potassium 4-[(2E)-2-[2-(1-butyl-3-ethyl-5-keto-2-thioxo-imidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate Formula: C22H28KN3O5S2 MolecularWeight: 517.70312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC=C2N(C3=CC=CC=C3O2)CCCCS(=O)(=O)[O-])N(C1=S)CC.[K+]

Isomeric SMILES

CCCCN1C(=O)C(=C/C=C/2\N(C3=CC=CC=C3O2)CCCCS(=O)(=O)[O-])N(C1=S)CC.[K+]

InChI

InChI=1S/C22H29N3O5S2.K/c1-3-5-14-25-21(26)18(23(4-2)22(25)31)12-13-20-24(15-8-9-16-32(27,28)29)17-10-6-7-11-19(17)30-20;/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3,(H,27,28,29);/q;+1/p-1/b18-12?,20-13+;