N-[5-[[4-(1-adamantyl)phenyl]carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[[4-(1-adamantyl)phenyl]carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[[4-(1-adamantyl)phenyl]carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[4-(1-adamantyl)anilino]-oxomethyl]-2-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[[4-(1-adamantyl)phenyl]carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[5-[[4-(1-adamantyl)phenyl]carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide Formula: C28H27ClN2O2S MolecularWeight: 491.04418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)NC(=O)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)NC(=O)C6=CC=CS6

InChI

InChI=1S/C28H27ClN2O2S/c29-23-8-3-20(13-24(23)31-27(33)25-2-1-9-34-25)26(32)30-22-6-4-21(5-7-22)28-14-17-10-18(15-28)12-19(11-17)16-28/h1-9,13,17-19H,10-12,14-16H2,(H,30,32)(H,31,33)