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(2S)-2-(1-adamantylsulfanyl)-N-[(2-methoxyphenyl)methyl]propanamide

(2S)-2-(1-adamantylsulfanyl)-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-[(2-methoxyphenyl)methyl]propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-[(2-methoxyphenyl)methyl]propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-[(2-methoxyphenyl)methyl]propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-[(2-methoxyphenyl)methyl]propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-o-anisyl-propionamide
Formula: C21H29NO2S
MolecularWeight: 359.52546
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)SC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H29NO2S/c1-14(20(23)22-13-18-5-3-4-6-19(18)24-2)25-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23)/t14-,15?,16?,17?,21?/m0/s1


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