[4-[(Z)-[1-(2-methylpropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(Z)-[1-(2-methylpropyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(Z)-(1-isobutyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(Z)-[1-(2-methylpropyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[1-(2-methylpropyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(Z)-(1-isobutyl-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:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)N3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=S)N3)CC(C)C

InChI

InChI=1S/C22H22N2O3S/c1-14(2)13-24-20(25)19(23-22(24)28)12-16-6-10-18(11-7-16)27-21(26)17-8-4-15(3)5-9-17/h4-12,14H,13H2,1-3H3,(H,23,28)/b19-12-