[4-[(E)-[1-(3-methoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] benzoate

Systemtic Name: [4-[(E)-[1-(3-methoxypropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] benzoate Openeye Name: [4-[(E)-[1-(3-methoxypropyl)-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[1-(3-methoxypropyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[1-(3-methoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[5-keto-1-(3-methoxypropyl)-2-thioxo-imidazolidin-4-ylidene]methyl]phenyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC1=S

Isomeric SMILES

COCCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/NC1=S

InChI

InChI=1S/C21H20N2O4S/c1-26-13-5-12-23-19(24)18(22-21(23)28)14-15-8-10-17(11-9-15)27-20(25)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,22,28)/b18-14+