N-[2-(1-adamantyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(1-adamantyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxamide CAS Name: N-[2-(1-adamantyl)ethyl]-3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(1-adamantyl)ethyl]-3-[[(4-chlorophenyl)thio]methyl]coumarilamide Formula: C28H30ClNO2S MolecularWeight: 480.0613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C5=CC=CC=C5O4)CSC6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C5=CC=CC=C5O4)CSC6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H30ClNO2S/c29-21-5-7-22(8-6-21)33-17-24-23-3-1-2-4-25(23)32-26(24)27(31)30-10-9-28-14-18-11-19(15-28)13-20(12-18)16-28/h1-8,18-20H,9-17H2,(H,30,31)