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

Systemtic Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-phenylpiperazin-1-yl)-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-phenyl-1-piperazinyl)-(2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-phenylpiperazino)-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CC=CC=N4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CC=CC=N4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O2S/c34-28(24-13-8-20-35-24)31-29-26(22-11-4-5-14-25(22)36-29)27(23-12-6-7-15-30-23)33-18-16-32(17-19-33)21-9-2-1-3-10-21/h1-3,6-10,12-13,15,20,27H,4-5,11,14,16-19H2,(H,31,34)