N-(1-adamantyl)-2-[(3-cyanophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-cyanophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-[(3-cyanophenyl)methylsulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(1-adamantyl)-2-[(3-cyanophenyl)methylthio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-[(3-cyanophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(1-adamantyl)-2-[(3-cyanobenzyl)thio]-N-(2-furfuryl)acetamide Formula: C25H28N2O2S MolecularWeight: 420.56702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)CSCC5=CC=CC(=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)CSCC5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H28N2O2S/c26-14-18-3-1-4-19(7-18)16-30-17-24(28)27(15-23-5-2-6-29-23)25-11-20-8-21(12-25)10-22(9-20)13-25/h1-7,20-22H,8-13,15-17H2