2-(1-adamantylsulfanyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)OC)OC)NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31NO3S/c1-14(19-9-18(25-2)4-5-20(19)26-3)23-21(24)13-27-22-10-15-6-16(11-22)8-17(7-15)12-22/h4-5,9,14-17H,6-8,10-13H2,1-3H3,(H,23,24)/t14-,15?,16?,17?,22?/m0/s1