4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/NC1=S

InChI

InChI=1S/C14H14N2O3S/c1-2-7-16-12(17)11(15-14(16)20)8-9-3-5-10(6-4-9)13(18)19/h3-6,8H,2,7H2,1H3,(H,15,20)(H,18,19)/b11-8+