N-[4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(1-adamantylsulfanyl)acetyl]phenyl]propanamide CAS Name: N-[4-[2-(1-adamantylthio)-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(1-adamantylsulfanyl)acetyl]phenyl]propanamide Traditional Name: N-[4-[2-(1-adamantylthio)acetyl]phenyl]propionamide Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO2S/c1-2-20(24)22-18-5-3-17(4-6-18)19(23)13-25-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)