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

Systemtic Name: (2-cyclohexyl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropyl)phenyl]methanone Openeye Name: (2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropyl)phenyl]methanone CAS Name: (2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[3-(1-pyrrolidinyl)propyl]phenyl]methanone IUPAC Name: (2-cyclohexyl-6-hydroxy-1-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropyl)phenyl]methanone Traditional Name: (2-cyclohexyl-6-hydroxy-benzothiophen-3-yl)-[4-(3-pyrrolidinopropyl)phenyl]methanone Formula: C28H33NO2S MolecularWeight: 447.63212

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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)CCCN5CCCC5

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)CCCN5CCCC5

InChI

InChI=1S/C28H33NO2S/c30-23-14-15-24-25(19-23)32-28(22-8-2-1-3-9-22)26(24)27(31)21-12-10-20(11-13-21)7-6-18-29-16-4-5-17-29/h10-15,19,22,30H,1-9,16-18H2