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

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-veratryl-propionamide Formula: C22H31NO3S MolecularWeight: 389.55144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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