ditert-butyl 2-(4-phenylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-phenylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate Openeye Name: ditert-butyl 2-(4-phenylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate CAS Name: 2-[4-(phenylthio)phenyl]iminoimidazolidine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-phenylsulfanylphenyl)iminoimidazolidine-1,3-dicarboxylate Traditional Name: 2-[4-(phenylthio)phenyl]iminoimidazolidine-1,3-dicarboxylic acid ditert-butyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C1=NC2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C1=NC2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O4S/c1-24(2,3)31-22(29)27-16-17-28(23(30)32-25(4,5)6)21(27)26-18-12-14-20(15-13-18)33-19-10-8-7-9-11-19/h7-15H,16-17H2,1-6H3