2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C28H21BrN2O4S MolecularWeight: 561.44634

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C4=C(C3C5=CC=CS5)C=C(C=C4)O)C(=O)NC6=CC=CC=C6)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C4=C(C3C5=CC=CS5)C=C(C=C4)O)C(=O)NC6=CC=CC=C6)Br

InChI

InChI=1S/C28H21BrN2O4S/c29-23-13-25-24(34-16-35-25)11-17(23)14-31-15-22(28(33)30-18-5-2-1-3-6-18)20-9-8-19(32)12-21(20)27(31)26-7-4-10-36-26/h1-13,15,27,32H,14,16H2,(H,30,33)