5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide Openeye Name: 5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide CAS Name: 5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide Traditional Name: 5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide Formula: C27H28N3OS2+ MolecularWeight: 474.66072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC4=[N+](C5=CC=CC=C5S4)CC)CC(C3)C(=O)N

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC4=[N+](C5=CC=CC=C5S4)CC)CC(C3)C(=O)N

InChI

InChI=1S/C27H27N3OS2/c1-3-29-21-9-5-7-11-23(21)32-25(29)16-18-13-19(15-20(14-18)27(28)31)17-26-30(4-2)22-10-6-8-12-24(22)33-26/h5-13,16-17,20H,3-4,14-15H2,1-2H3,(H-,28,31)/p+1