6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)[O-]

InChI

InChI=1S/C17H17N3O3S2/c21-15(22)8-2-1-5-9-20-16(23)13(25-17(20)24)10-14-18-11-6-3-4-7-12(11)19-14/h3-4,6-7,10H,1-2,5,8-9H2,(H,18,19)(H,21,22)/b13-10-