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

Systemtic Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone Openeye Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cycloheptyl-6-methoxy-benzothiophen-3-yl)methanone CAS Name: [4-[3-(1-azepanyl)propoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)methanone Traditional Name: [4-[3-(azepan-1-yl)propoxy]phenyl]-(2-cycloheptyl-6-methoxy-benzothiophen-3-yl)methanone Formula: C32H41NO3S MolecularWeight: 519.73784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCCC3)C(=O)C4=CC=C(C=C4)OCCCN5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCCC3)C(=O)C4=CC=C(C=C4)OCCCN5CCCCCC5

InChI

InChI=1S/C32H41NO3S/c1-35-27-17-18-28-29(23-27)37-32(25-11-6-2-3-7-12-25)30(28)31(34)24-13-15-26(16-14-24)36-22-10-21-33-19-8-4-5-9-20-33/h13-18,23,25H,2-12,19-22H2,1H3