N-[4-(1-adamantyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-[(cyclohexylthio)methyl]coumarilamide Formula: C32H37NO2S MolecularWeight: 499.70668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H37NO2S/c34-31(30-28(20-36-26-6-2-1-3-7-26)27-8-4-5-9-29(27)35-30)33-25-12-10-24(11-13-25)32-17-21-14-22(18-32)16-23(15-21)19-32/h4-5,8-13,21-23,26H,1-3,6-7,14-20H2,(H,33,34)