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

Systemtic Name: N-[3-[(4-methylpiperazin-1-yl)-pyridin-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-methylpiperazin-1-yl)-(4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-methyl-1-piperazinyl)-pyridin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-methylpiperazino)-(4-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C24H28N4O2S/c1-27-12-14-28(15-13-27)22(17-8-10-25-11-9-17)21-18-5-2-3-7-20(18)31-24(21)26-23(29)19-6-4-16-30-19/h4,6,8-11,16,22H,2-3,5,7,12-15H2,1H3,(H,26,29)