2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindole-1,3-dione Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindoline-1,3-dione CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethoxy]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethoxy]isoindole-1,3-dione Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindoline-1,3-quinone Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)ON5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)ON5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H26N2O4S/c32-28-22-10-4-5-11-23(22)29(33)31(28)35-27(19-8-2-1-3-9-19)20-14-16-21(17-15-20)34-18-26-30-24-12-6-7-13-25(24)36-26/h4-7,10-17,19,27H,1-3,8-9,18H2