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

Systemtic Name: 4-[(E)-[3-cyclohexyl-4,5-bis(oxidanylidene)-2-sulfanylidene-imidazolidin-1-yl]iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-cyclohexyl-4,5-dioxo-2-thioxo-imidazolidin-1-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-cyclohexyl-4,5-dioxo-2-sulfanylidene-1-imidazolidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-cyclohexyl-4,5-dioxo-2-sulfanylideneimidazolidin-1-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-cyclohexyl-4,5-diketo-2-thioxo-imidazolidin-1-yl)iminomethyl]benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=O)N(C2=S)N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=O)N(C2=S)/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17N3O4S/c21-14-15(22)20(17(25)19(14)13-4-2-1-3-5-13)18-10-11-6-8-12(9-7-11)16(23)24/h6-10,13H,1-5H2,(H,23,24)/b18-10+