1-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-1-[2-[2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-carbamothioyl-amino]ethyldisulfanyl]ethyl]thiourea

Systemtic Name: 1-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-1-[2-[2-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-carbamothioyl-amino]ethyldisulfanyl]ethyl]thiourea Openeye Name: 1-[2-[2-[carbamothioyl-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)amino]ethyldisulfanyl]ethyl]-1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)thiourea CAS Name: 1-[2-[2-[carbamothioyl-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)amino]ethyldisulfanyl]ethyl]-1-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)thiourea IUPAC Name: 1-[2-[2-[carbamothioyl-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]ethyldisulfanyl]ethyl]-1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea Traditional Name: 1-(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)-1-[2-[2-[(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)-thiocarbamoyl-amino]ethyldisulfanyl]ethyl]thiourea Formula: C46H34N4O10S4 MolecularWeight: 931.04296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCSSCCN(C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O)C(=S)N)C(=S)N)C(=O)OC28C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCSSCCN(C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O)C(=S)N)C(=S)N)C(=O)OC28C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O

InChI

InChI=1S/C46H34N4O10S4/c47-43(61)49(23-1-7-31-29(17-23)41(55)59-45(31)33-9-3-25(51)19-37(33)57-38-20-26(52)4-10-34(38)45)13-15-63-64-16-14-50(44(48)62)24-2-8-32-30(18-24)42(56)60-46(32)35-11-5-27(53)21-39(35)58-40-22-28(54)6-12-36(40)46/h1-12,17-22,51-54H,13-16H2,(H2,47,61)(H2,48,62)