[2-[2-(azepan-1-yl)ethoxy]phenyl]-(6-methoxy-1-benzothiophen-3-yl)methanone

Systemtic Name: [2-[2-(azepan-1-yl)ethoxy]phenyl]-(6-methoxy-1-benzothiophen-3-yl)methanone Openeye Name: [2-[2-(azepan-1-yl)ethoxy]phenyl]-(6-methoxybenzothiophen-3-yl)methanone CAS Name: [2-[2-(1-azepanyl)ethoxy]phenyl]-(6-methoxy-1-benzothiophen-3-yl)methanone IUPAC Name: [2-[2-(azepan-1-yl)ethoxy]phenyl]-(6-methoxy-1-benzothiophen-3-yl)methanone Traditional Name: [2-[2-(azepan-1-yl)ethoxy]phenyl]-(6-methoxybenzothiophen-3-yl)methanone Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CS2)C(=O)C3=CC=CC=C3OCCN4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CS2)C(=O)C3=CC=CC=C3OCCN4CCCCCC4

InChI

InChI=1S/C24H27NO3S/c1-27-18-10-11-19-21(17-29-23(19)16-18)24(26)20-8-4-5-9-22(20)28-15-14-25-12-6-2-3-7-13-25/h4-5,8-11,16-17H,2-3,6-7,12-15H2,1H3