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(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-(2,4,6-trimethylphenyl)propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-mesityl-propionamide
Formula: C22H31NOS
MolecularWeight: 357.55264
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC23CC4CC(C2)CC(C4)C3)C


Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC23CC4CC(C2)CC(C4)C3)C


InChI

InChI=1S/C22H31NOS/c1-13-5-14(2)20(15(3)6-13)23-21(24)16(4)25-22-10-17-7-18(11-22)9-19(8-17)12-22/h5-6,16-19H,7-12H2,1-4H3,(H,23,24)/t16-,17?,18?,19?,22?/m0/s1


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