1-[4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl]pentan-1-one

Systemtic Name: 1-[4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl]pentan-1-one Openeye Name: 1-[4-[3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl]pentan-1-one CAS Name: 1-[4-[3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-1-pentanone IUPAC Name: 1-[4-[3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl]pentan-1-one Traditional Name: 1-[4-[3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl]pentan-1-one Formula: C33H35NO3S MolecularWeight: 525.7009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCC(=O)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C33H35NO3S/c1-2-3-10-29(35)24-12-14-26(15-13-24)33-31(28-9-5-6-11-30(28)38-33)32(36)25-16-18-27(19-17-25)37-23-22-34-20-7-4-8-21-34/h5-6,9,11-19H,2-4,7-8,10,20-23H2,1H3