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(2S)-2-(1-adamantylsulfanyl)-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-(1-adamantylsulfanyl)-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-[(4-methoxyphenyl)methyl]propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-[(4-methoxyphenyl)methyl]propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-[(4-methoxyphenyl)methyl]propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-[(4-methoxyphenyl)methyl]propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-p-anisyl-propionamide
Formula: C21H29NO2S
MolecularWeight: 359.52546
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)SC23CC4CC(C2)CC(C4)C3


InChI

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


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