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

Systemtic Name: N-[3-[(4-ethylpiperazin-1-yl)-phenyl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-ethylpiperazin-1-yl)-phenyl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)-phenylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-ethylpiperazino)-phenyl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2S/c1-2-28-14-16-29(17-15-28)24(19-9-4-3-5-10-19)23-20-11-6-7-13-22(20)32-26(23)27-25(30)21-12-8-18-31-21/h3-5,8-10,12,18,24H,2,6-7,11,13-17H2,1H3,(H,27,30)