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2-(1-adamantylsulfanyl)-N-(2,6-diethylphenyl)ethanamide

2-(1-adamantylsulfanyl)-N-(2,6-diethylphenyl)ethanamide

Systemtic Name:2-(1-adamantylsulfanyl)-N-(2,6-diethylphenyl)ethanamide
Openeye Name:2-(1-adamantylsulfanyl)-N-(2,6-diethylphenyl)acetamide
CAS Name:2-(1-adamantylthio)-N-(2,6-diethylphenyl)acetamide
IUPAC Name:2-(1-adamantylsulfanyl)-N-(2,6-diethylphenyl)acetamide
Traditional Name:2-(1-adamantylthio)-N-(2,6-diethylphenyl)acetamide
Formula: C22H31NOS
MolecularWeight: 357.55264
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C22H31NOS/c1-3-18-6-5-7-19(4-2)21(18)23-20(24)14-25-22-11-15-8-16(12-22)10-17(9-15)13-22/h5-7,15-17H,3-4,8-14H2,1-2H3,(H,23,24)


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