11-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate

Systemtic Name: 11-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Openeye Name: 11-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoate CAS Name: 11-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoate IUPAC Name: 11-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Traditional Name: 11-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoate Formula: C22H26N3O3S2- MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C=C/3\C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C22H27N3O3S2/c26-20(27)13-7-5-3-1-2-4-6-10-14-25-21(28)18(30-22(25)29)15-19-23-16-11-8-9-12-17(16)24-19/h8-9,11-12,15H,1-7,10,13-14H2,(H,23,24)(H,26,27)/p-1/b18-15+