N-(1-benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]ethanamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]ethanamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-yl-phenoxy]acetamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-pyrimidinyl)phenoxy]acetamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-pyrimidin-2-ylphenoxy]acetamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-pyrimidyl)phenoxy]acetamide Formula: C31H28N4O2S MolecularWeight: 520.64462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=NC=CC=N4)OCC(=O)NCC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=CC(=C3)C4=NC=CC=N4)OCC(=O)NCC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C31H28N4O2S/c36-30(34-18-27-17-23-7-3-4-9-29(23)38-27)21-37-28-11-10-24(31-32-13-5-14-33-31)16-26(28)20-35-15-12-22-6-1-2-8-25(22)19-35/h1-11,13-14,16-17H,12,15,18-21H2,(H,34,36)