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

Systemtic Name: [4-[3-(azepan-1-yl)propyl]phenyl]-(2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)methanone Openeye Name: [4-[3-(azepan-1-yl)propyl]phenyl]-(2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)methanone CAS Name: [4-[3-(1-azepanyl)propyl]phenyl]-(2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[3-(azepan-1-yl)propyl]phenyl]-(2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)methanone Traditional Name: [4-[3-(azepan-1-yl)propyl]phenyl]-(2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)methanone Formula: C30H37NO2S MolecularWeight: 475.68528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)CCCC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5CCCCC5

InChI

InChI=1S/C30H37NO2S/c32-25-16-17-26-27(21-25)34-30(24-10-4-3-5-11-24)28(26)29(33)23-14-12-22(13-15-23)9-8-20-31-18-6-1-2-7-19-31/h12-17,21,24,32H,1-11,18-20H2