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

Systemtic Name: 3-[5-[(Z)-(1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(Z)-(1-butyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(Z)-(1-butyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(Z)-(1-butyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(Z)-(1-butyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-furyl]benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)NC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/NC1=S

InChI

InChI=1S/C19H18N2O4S/c1-2-3-9-21-17(22)15(20-19(21)26)11-14-7-8-16(25-14)12-5-4-6-13(10-12)18(23)24/h4-8,10-11H,2-3,9H2,1H3,(H,20,26)(H,23,24)/b15-11-