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N-[3-acetamido-4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]ethanamide

N-[3-acetamido-4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]ethanamide

Systemtic Name:N-[3-acetamido-4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]ethanamide
Openeye Name:N-[3-acetamido-4-[2-(1-adamantylsulfanyl)acetyl]phenyl]acetamide
CAS Name:N-[3-acetamido-4-[2-(1-adamantylthio)-1-oxoethyl]phenyl]acetamide
IUPAC Name:N-[3-acetamido-4-[2-(1-adamantylsulfanyl)acetyl]phenyl]acetamide
Traditional Name:N-[3-acetamido-4-[2-(1-adamantylthio)acetyl]phenyl]acetamide
Formula: C22H28N2O3S
MolecularWeight: 400.53432
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H28N2O3S/c1-13(25)23-18-3-4-19(20(8-18)24-14(2)26)21(27)12-28-22-9-15-5-16(10-22)7-17(6-15)11-22/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H,23,25)(H,24,26)


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