[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]methanone

Systemtic Name: [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]methanone Openeye Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]methanone CAS Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]methanone Traditional Name: [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(4-isonicotinoylpiperazino)phenyl]methanone Formula: C31H25N3O4S MolecularWeight: 535.6129

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)C(=O)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)C(=O)C6=CC=NC=C6

InChI

InChI=1S/C31H25N3O4S/c35-24-7-3-21(4-8-24)30-28(26-10-9-25(36)19-27(26)39-30)29(37)20-1-5-23(6-2-20)33-15-17-34(18-16-33)31(38)22-11-13-32-14-12-22/h1-14,19,35-36H,15-18H2