methyl 4-[(E)-(1-cyclohexyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(1-cyclohexyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(1-cyclohexyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzoate CAS Name: 4-[(E)-(1-cyclohexyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(1-cyclohexyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3CCCCC3

InChI

InChI=1S/C18H20N2O3S/c1-23-17(22)13-9-7-12(8-10-13)11-15-16(21)20(18(24)19-15)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,24)/b15-11+