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(2S)-2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)propanamide

(2S)-2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-(3,4-dimethoxyphenyl)propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-(3,4-dimethoxyphenyl)propionamide
Formula: C21H29NO3S
MolecularWeight: 375.52486
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)SC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H29NO3S/c1-13(20(23)22-17-4-5-18(24-2)19(9-17)25-3)26-21-10-14-6-15(11-21)8-16(7-14)12-21/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,22,23)/t13-,14?,15?,16?,21?/m0/s1


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