[4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-1-benzothiophen-3-yl)methanone Openeye Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-benzothiophen-3-yl)methanone CAS Name: [4-[3-(1-azepanyl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-1-benzothiophen-3-yl)methanone Traditional Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cyclohexyl-6-methoxy-benzothiophen-3-yl)methanone Formula: C31H39NO3S MolecularWeight: 505.71126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)C(=O)C4=CC=C(C=C4)OCCCN5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)C(=O)C4=CC=C(C=C4)OCCCN5CCCCCC5

InChI

InChI=1S/C31H39NO3S/c1-34-26-16-17-27-28(22-26)36-31(24-10-5-4-6-11-24)29(27)30(33)23-12-14-25(15-13-23)35-21-9-20-32-18-7-2-3-8-19-32/h12-17,22,24H,2-11,18-21H2,1H3