4-[(E)-[4,5-bis(oxidanylidene)-3-prop-2-enyl-2-sulfanylidene-imidazolidin-1-yl]iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-[4,5-bis(oxidanylidene)-3-prop-2-enyl-2-sulfanylidene-imidazolidin-1-yl]iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-allyl-4,5-dioxo-2-thioxo-imidazolidin-1-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(4,5-dioxo-3-prop-2-enyl-2-sulfanylidene-1-imidazolidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(4,5-dioxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-1-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-allyl-4,5-diketo-2-thioxo-imidazolidin-1-yl)iminomethyl]benzoic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=O)N(C1=S)N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C(=O)N(C1=S)/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11N3O4S/c1-2-7-16-11(18)12(19)17(14(16)22)15-8-9-3-5-10(6-4-9)13(20)21/h2-6,8H,1,7H2,(H,20,21)/b15-8+