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

Systemtic Name: [3-[(E)-(5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-(1-allyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-(5-oxo-1-prop-2-enyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-(1-allyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-3-11-23-19(24)18(22-21(23)27)13-15-5-4-6-17(12-15)26-20(25)16-9-7-14(2)8-10-16/h3-10,12-13H,1,11H2,2H3,(H,22,27)/b18-13+