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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-phenylsulfanylpropanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-(phenylthio)propionamide Formula: C25H29NOS MolecularWeight: 391.56886

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCSC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCSC5=CC=CC=C5

InChI

InChI=1S/C25H29NOS/c27-24(10-11-28-23-4-2-1-3-5-23)26-22-8-6-21(7-9-22)25-15-18-12-19(16-25)14-20(13-18)17-25/h1-9,18-20H,10-17H2,(H,26,27)