2-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H22N2O2S2/c1-26(2,3)17-10-8-16(9-11-17)15-31-25-27-21-13-12-18(14-22(21)32-25)28-23(29)19-6-4-5-7-20(19)24(28)30/h4-14H,15H2,1-3H3