N-ethyl-5-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: N-ethyl-5-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide Openeye Name: N-ethyl-5-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide CAS Name: N-ethyl-5-[[3-ethyl-5-methoxy-6-(methylthio)-1,3-benzothiazol-3-ium-2-yl]methylidene]-3-[[3-ethyl-5-methoxy-6-(methylthio)-1,3-benzothiazol-2-ylidene]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-ethyl-5-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-5-methoxy-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide Traditional Name: N-ethyl-5-[[3-ethyl-5-methoxy-6-(methylthio)-1,3-benzothiazol-3-ium-2-yl]methylene]-3-[[3-ethyl-5-methoxy-6-(methylthio)-1,3-benzothiazol-2-ylidene]methyl]cyclohex-3-ene-1-carboxamide Formula: C33H40N3O3S4+ MolecularWeight: 654.949

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(=CC(=CC2=[N+](C3=CC(=C(C=C3S2)SC)OC)CC)C1)C=C4N(C5=CC(=C(C=C5S4)SC)OC)CC

Isomeric SMILES

CCNC(=O)C1CC(=CC(=CC2=[N+](C3=CC(=C(C=C3S2)SC)OC)CC)C1)C=C4N(C5=CC(=C(C=C5S4)SC)OC)CC

InChI

InChI=1S/C33H39N3O3S4/c1-8-34-33(37)22-12-20(14-31-35(9-2)23-16-25(38-4)29(40-6)18-27(23)42-31)11-21(13-22)15-32-36(10-3)24-17-26(39-5)30(41-7)19-28(24)43-32/h11,14-19,22H,8-10,12-13H2,1-7H3/p+1