2-[(E)-[3-(4-methoxycyclohexyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]iminomethyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(E)-[3-(4-methoxycyclohexyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]iminomethyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(E)-[3-(4-methoxycyclohexyl)-5-oxo-2-thioxo-imidazolidin-1-yl]iminomethyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(E)-[3-(4-methoxycyclohexyl)-5-oxo-2-sulfanylidene-1-imidazolidinyl]iminomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(E)-[3-(4-methoxycyclohexyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]iminomethyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(E)-[5-keto-3-(4-methoxycyclohexyl)-2-thioxo-imidazolidin-1-yl]iminomethyl]cyclohexene-1-carboxylic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)N2CC(=O)N(C2=S)N=CC3=C(CCCC3)C(=O)O

Isomeric SMILES

COC1CCC(CC1)N2CC(=O)N(C2=S)/N=C/C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C18H25N3O4S/c1-25-14-8-6-13(7-9-14)20-11-16(22)21(18(20)26)19-10-12-4-2-3-5-15(12)17(23)24/h10,13-14H,2-9,11H2,1H3,(H,23,24)/b19-10+