[1-(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)-5,6-dimethoxy-3-oxidanylidene-inden-2-yl] carbamimidothioate

Systemtic Name: [1-(5,6-dimethoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)-5,6-dimethoxy-3-oxidanylidene-inden-2-yl] carbamimidothioate Openeye Name: 2-[1-(5,6-dimethoxy-1-oxo-indan-2-yl)-5,6-dimethoxy-3-oxo-inden-2-yl]isothiourea CAS Name: carbamimidothioic acid [1-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)-5,6-dimethoxy-3-oxo-2-indenyl] ester IUPAC Name: [1-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)-5,6-dimethoxy-3-oxoinden-2-yl] carbamimidothioate Traditional Name: 2-[1-keto-3-(1-keto-5,6-dimethoxy-indan-2-yl)-5,6-dimethoxy-inden-2-yl]isothiourea Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)C3=C(C(=O)C4=CC(=C(C=C43)OC)OC)SC(=N)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)C3=C(C(=O)C4=CC(=C(C=C43)OC)OC)SC(=N)N)OC

InChI

InChI=1S/C23H22N2O6S/c1-28-15-6-10-5-14(20(26)11(10)7-16(15)29-2)19-12-8-17(30-3)18(31-4)9-13(12)21(27)22(19)32-23(24)25/h6-9,14H,5H2,1-4H3,(H3,24,25)