4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxybenzofuran-2-yl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxy-2-benzofuranyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(7-ethoxybenzofuran-2-yl)thiazol-2-yl]benzamide Formula: C29H25N3O5S2 MolecularWeight: 559.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

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