2-[[2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-benzyloxy-2-isobutyl-1-oxo-4-(2-thienyl)-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-yl-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-thiophen-2-ylisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-benzoxy-2-isobutyl-1-keto-4-(2-thienyl)-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C33H28N2O4S MolecularWeight: 548.65142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H28N2O4S/c1-21(2)18-34-28(19-35-32(37)24-11-6-7-12-25(24)33(35)38)30(29-13-8-16-40-29)27-17-23(14-15-26(27)31(34)36)39-20-22-9-4-3-5-10-22/h3-17,21H,18-20H2,1-2H3