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(2S)-2-(1-adamantylsulfanyl)-N-(3-methoxyphenyl)propanamide

(2S)-2-(1-adamantylsulfanyl)-N-(3-methoxyphenyl)propanamide

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-(3-methoxyphenyl)propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-(3-methoxyphenyl)propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-(3-methoxyphenyl)propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-(3-methoxyphenyl)propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-(3-methoxyphenyl)propionamide
Formula: C20H27NO2S
MolecularWeight: 345.49888
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H27NO2S/c1-13(19(22)21-17-4-3-5-18(9-17)23-2)24-20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,21,22)/t13-,14?,15?,16?,20?/m0/s1


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