[3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-5-butoxy-1-benzothiophen-2-yl]-phenyl-methanone

Systemtic Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-5-butoxy-1-benzothiophen-2-yl]-phenyl-methanone Openeye Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-5-butoxy-benzothiophen-2-yl]-phenyl-methanone CAS Name: [3-[4-[2-(1-azepanyl)ethoxy]phenyl]-5-butoxy-1-benzothiophen-2-yl]-phenylmethanone IUPAC Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-5-butoxy-1-benzothiophen-2-yl]-phenylmethanone Traditional Name: [3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-5-butoxy-benzothiophen-2-yl]-phenyl-methanone Formula: C33H37NO3S MolecularWeight: 527.71678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)SC(=C2C3=CC=C(C=C3)OCCN4CCCCCC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)SC(=C2C3=CC=C(C=C3)OCCN4CCCCCC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H37NO3S/c1-2-3-22-36-28-17-18-30-29(24-28)31(33(38-30)32(35)26-11-7-6-8-12-26)25-13-15-27(16-14-25)37-23-21-34-19-9-4-5-10-20-34/h6-8,11-18,24H,2-5,9-10,19-23H2,1H3