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

Systemtic Name: (2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(4-pyrrolidin-1-ylbutyl)phenyl]methanone Openeye Name: (2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)-[4-(4-pyrrolidin-1-ylbutyl)phenyl]methanone CAS Name: (2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[4-(1-pyrrolidinyl)butyl]phenyl]methanone IUPAC Name: (2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-[4-(4-pyrrolidin-1-ylbutyl)phenyl]methanone Traditional Name: (2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)-[4-(4-pyrrolidinobutyl)phenyl]methanone Formula: C29H35NO2S MolecularWeight: 461.6587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCCCN5CCCC5

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCCCN5CCCC5

InChI

InChI=1S/C29H35NO2S/c31-24-15-16-25-26(20-24)33-29(23-9-2-1-3-10-23)27(25)28(32)22-13-11-21(12-14-22)8-4-5-17-30-18-6-7-19-30/h11-16,20,23,31H,1-10,17-19H2