N-[3-[(4-ethylpiperazin-1-yl)-pyridin-3-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[(4-ethylpiperazin-1-yl)-pyridin-3-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-ethylpiperazin-1-yl)-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-ethylpiperazino)-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C25H30N4O2S/c1-2-28-12-14-29(15-13-28)23(18-7-5-11-26-17-18)22-19-8-3-4-10-21(19)32-25(22)27-24(30)20-9-6-16-31-20/h5-7,9,11,16-17,23H,2-4,8,10,12-15H2,1H3,(H,27,30)