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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromanyl-phenyl]-cyclohexyl-methoxy]isoindole-1,3-dione Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromo-phenyl]-cyclohexyl-methoxy]isoindoline-1,3-dione CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromophenyl]-cyclohexylmethoxy]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromophenyl]-cyclohexylmethoxy]isoindole-1,3-dione Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-bromo-phenyl]-cyclohexyl-methoxy]isoindoline-1,3-quinone Formula: C29H25BrN2O4S MolecularWeight: 577.4888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25BrN2O4S/c30-23-16-19(35-17-26-31-24-12-6-7-13-25(24)37-26)14-15-22(23)27(18-8-2-1-3-9-18)36-32-28(33)20-10-4-5-11-21(20)29(32)34/h4-7,10-16,18,27H,1-3,8-9,17H2