1-[2-(3-ethyl-4-oxidanyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone

Systemtic Name: 1-[2-(3-ethyl-4-oxidanyl-phenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone Openeye Name: 1-[2-(3-ethyl-4-hydroxy-phenyl)-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophen-6-yl]ethanone CAS Name: 1-[2-(3-ethyl-4-hydroxyphenyl)-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-6-yl]ethanone IUPAC Name: 1-[2-(3-ethyl-4-hydroxyphenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-6-yl]ethanone Traditional Name: 1-[2-(3-ethyl-4-hydroxy-phenyl)-3-[4-(3-piperidinopropoxy)benzyl]benzothiophen-6-yl]ethanone Formula: C33H37NO3S MolecularWeight: 527.71678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCCN5CCCCC5)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCCN5CCCCC5)O

InChI

InChI=1S/C33H37NO3S/c1-3-25-21-27(11-15-31(25)36)33-30(29-14-10-26(23(2)35)22-32(29)38-33)20-24-8-12-28(13-9-24)37-19-7-18-34-16-5-4-6-17-34/h8-15,21-22,36H,3-7,16-20H2,1-2H3