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

Systemtic Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-phenylpiperazin-1-yl)-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-phenyl-1-piperazinyl)-(3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-phenylpiperazino)-(3-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=CN=CC=C4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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