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(2S)-2-(1-adamantylsulfanyl)-N-(phenylmethyl)propanamide

Systemtic Name:	(2S)-2-(1-adamantylsulfanyl)-N-(phenylmethyl)propanamide
Openeye Name:	(2S)-2-(1-adamantylsulfanyl)-N-benzyl-propanamide
CAS Name:	(2S)-2-(1-adamantylthio)-N-(phenylmethyl)propanamide
IUPAC Name:	(2S)-2-(1-adamantylsulfanyl)-N-benzylpropanamide
Traditional Name:	(2S)-2-(1-adamantylthio)-N-benzyl-propionamide
Formula:	C₂₀H₂₇NOS
MolecularWeight:	329.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NOS/c1-14(19(22)21-13-15-5-3-2-4-6-15)23-20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,14,16-18H,7-13H2,1H3,(H,21,22)/t14-,16?,17?,18?,20?/m0/s1

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