tert-butyl 2-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-[3-(4-cyanophenyl)-2-oxo-imidazolidin-1-yl]phenyl]sulfanylacetate CAS Name: 2-[[4-[3-(4-cyanophenyl)-2-oxo-1-imidazolidinyl]phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[3-(4-cyanophenyl)-2-oxoimidazolidin-1-yl]phenyl]sulfanylacetate Traditional Name: 2-[[4-[3-(4-cyanophenyl)-2-keto-imidazolidin-1-yl]phenyl]thio]acetic acid tert-butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O3S/c1-22(2,3)28-20(26)15-29-19-10-8-18(9-11-19)25-13-12-24(21(25)27)17-6-4-16(14-23)5-7-17/h4-11H,12-13,15H2,1-3H3