N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-(2-thienyl)phenoxy]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-[[4-(2-pyrimidyl)piperazino]methyl]-4-(2-thienyl)phenoxy]acetamide Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4COC5=CC=CC=C5O4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C3=CC=CS3)OCC(=O)NCC4COC5=CC=CC=C5O4)C6=NC=CC=N6

InChI

InChI=1S/C30H31N5O4S/c36-29(33-18-24-20-37-26-5-1-2-6-27(26)39-24)21-38-25-9-8-22(28-7-3-16-40-28)17-23(25)19-34-12-14-35(15-13-34)30-31-10-4-11-32-30/h1-11,16-17,24H,12-15,18-21H2,(H,33,36)