N-[4-(1-adamantyl)phenyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-benzylsulfanyl-propanamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-benzylsulfanylpropanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-(benzylthio)propionamide Formula: C26H31NOS MolecularWeight: 405.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCSCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCSCC5=CC=CC=C5

InChI

InChI=1S/C26H31NOS/c28-25(10-11-29-18-19-4-2-1-3-5-19)27-24-8-6-23(7-9-24)26-15-20-12-21(16-26)14-22(13-20)17-26/h1-9,20-22H,10-18H2,(H,27,28)