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

Systemtic Name: 3-[5-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(Z)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(Z)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(Z)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(Z)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/NC1=S

InChI

InChI=1S/C18H16N2O4S/c1-2-8-20-16(21)14(19-18(20)25)10-13-6-7-15(24-13)11-4-3-5-12(9-11)17(22)23/h3-7,9-10H,2,8H2,1H3,(H,19,25)(H,22,23)/b14-10-