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

Systemtic Name: [3-[(E)-(1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(E)-(1-butyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(E)-(1-butyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(1-butyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(E)-(1-butyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)C)NC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)C)/NC1=S

InChI

InChI=1S/C22H22N2O3S/c1-3-4-11-24-20(25)19(23-22(24)28)14-16-8-6-10-18(13-16)27-21(26)17-9-5-7-15(2)12-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,28)/b19-14+