4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxybenzofuran-2-yl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-2-benzofuranyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(5-ethoxybenzofuran-2-yl)thiazol-2-yl]benzamide Formula: C29H25N3O5S2 MolecularWeight: 559.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H25N3O5S2/c1-2-36-23-9-12-26-22(15-23)16-27(37-26)25-18-38-29(30-25)31-28(33)20-7-10-24(11-8-20)39(34,35)32-14-13-19-5-3-4-6-21(19)17-32/h3-12,15-16,18H,2,13-14,17H2,1H3,(H,30,31,33)