3-[5-[(Z)-(1-cyclohexyl-3-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(Z)-(1-cyclohexyl-3-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(Z)-(1-cyclohexyl-5-keto-3-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=O)N(C1=S)C4CCCCC4

Isomeric SMILES

CN1/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/C(=O)N(C1=S)C4CCCCC4

InChI

InChI=1S/C22H22N2O4S/c1-23-18(20(25)24(22(23)29)16-8-3-2-4-9-16)13-17-10-11-19(28-17)14-6-5-7-15(12-14)21(26)27/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,26,27)/b18-13-