[4-(6-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)-3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] carbamimidothioate

Systemtic Name: [4-(6-methyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)-3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] carbamimidothioate Openeye Name: 2-[3-hydroxy-4-(2-hydroxy-6-methyl-4-oxo-chromen-3-yl)-6-oxo-cyclohexa-2,4-dien-1-yl]isothiourea CAS Name: carbamimidothioic acid [3-hydroxy-4-(2-hydroxy-6-methyl-4-oxo-1-benzopyran-3-yl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [3-hydroxy-4-(2-hydroxy-6-methyl-4-oxochromen-3-yl)-6-oxocyclohexa-2,4-dien-1-yl] carbamimidothioate Traditional Name: 2-[3-hydroxy-4-(2-hydroxy-4-keto-6-methyl-chromen-3-yl)-6-keto-cyclohexa-2,4-dien-1-yl]isothiourea Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)C3=CC(=O)C(C=C3O)SC(=N)N)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)C3=CC(=O)C(C=C3O)SC(=N)N)O

InChI

InChI=1S/C17H14N2O5S/c1-7-2-3-12-9(4-7)15(22)14(16(23)24-12)8-5-11(21)13(6-10(8)20)25-17(18)19/h2-6,13,20,23H,1H3,(H3,18,19)