3-[4-[(2Z)-2-[[(3Z)-5-methyl-3-[[3-[4-oxidanylidene-4-(2-oxidanylidene-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylidene]cyclohexen-1-yl]methylidene]-5-phenyl-1,3-benzothiazol-3-yl]butanoyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[4-[(2Z)-2-[[(3Z)-5-methyl-3-[[3-[4-oxidanylidene-4-(2-oxidanylidene-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylidene]cyclohexen-1-yl]methylidene]-5-phenyl-1,3-benzothiazol-3-yl]butanoyl]-1H-benzimidazol-2-one Openeye Name: 3-[4-[(2Z)-2-[[(3Z)-5-methyl-3-[[3-[4-oxo-4-(2-oxo-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylene]cyclohexen-1-yl]methylene]-5-phenyl-1,3-benzothiazol-3-yl]butanoyl]-1H-benzimidazol-2-one CAS Name: 3-[4-[(2Z)-2-[[(3Z)-5-methyl-3-[[3-[4-oxo-4-(2-oxo-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylidene]-1-cyclohexenyl]methylidene]-5-phenyl-1,3-benzothiazol-3-yl]-1-oxobutyl]-1H-benzimidazol-2-one IUPAC Name: 3-[4-[(2Z)-2-[[(3Z)-5-methyl-3-[[3-[4-oxo-4-(2-oxo-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylidene]cyclohexen-1-yl]methylidene]-5-phenyl-1,3-benzothiazol-3-yl]butanoyl]-1H-benzimidazol-2-one Traditional Name: 3-[4-[(2Z)-2-[[(3Z)-3-[[3-[4-keto-4-(2-keto-3H-benzimidazol-1-yl)butyl]-5-phenyl-1,3-benzothiazol-3-ium-2-yl]methylene]-5-methyl-cyclohexen-1-yl]methylene]-5-phenyl-1,3-benzothiazol-3-yl]butanoyl]-1H-benzimidazol-2-one Formula: C57H49N6O4S2+ MolecularWeight: 946.16676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=CC2=[N+](C3=C(S2)C=CC(=C3)C4=CC=CC=C4)CCCC(=O)N5C6=CC=CC=C6NC5=O)C1)C=C7N(C8=C(S7)C=CC(=C8)C9=CC=CC=C9)CCCC(=O)N1C2=CC=CC=C2NC1=O

Isomeric SMILES

CC1CC(=C/C(=C\C2=[N+](C3=C(S2)C=CC(=C3)C4=CC=CC=C4)CCCC(=O)N5C6=CC=CC=C6NC5=O)/C1)/C=C\7/N(C8=C(S7)C=CC(=C8)C9=CC=CC=C9)CCCC(=O)N1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C57H48N6O4S2/c1-37-30-38(33-54-60(48-35-42(24-26-50(48)68-54)40-14-4-2-5-15-40)28-12-22-52(64)62-46-20-10-8-18-44(46)58-56(62)66)32-39(31-37)34-55-61(49-36-43(25-27-51(49)69-55)41-16-6-3-7-17-41)29-13-23-53(65)63-47-21-11-9-19-45(47)59-57(63)67/h2-11,14-21,24-27,32-37H,12-13,22-23,28-31H2,1H3,(H-,58,59,66,67)/p+1