(2S)-2-(1-adamantylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C23H32N2O2S MolecularWeight: 400.57738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O2S/c1-15-4-6-20(7-5-15)24-21(26)14-25(3)22(27)16(2)28-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,16-19H,8-14H2,1-3H3,(H,24,26)/t16-,17?,18?,19?,23?/m0/s1