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

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-[2-(4-methoxyphenyl)ethyl]propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-[2-(4-methoxyphenyl)ethyl]propionamide Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31NO2S/c1-15(21(24)23-8-7-16-3-5-20(25-2)6-4-16)26-22-12-17-9-18(13-22)11-19(10-17)14-22/h3-6,15,17-19H,7-14H2,1-2H3,(H,23,24)/t15-,17?,18?,19?,22?/m0/s1