2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-(2-phenylsulfanylethylamino)ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-[2-(phenylthio)ethylamino]propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(2-phenylsulfanylethylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[2-(phenylthio)ethylamino]ethyl]propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCSC2=CC=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCSC2=CC=CC=C2)N)C)O

InChI

InChI=1S/C22H29N3O3S/c1-14-11-17(26)12-15(2)19(14)13-20(23)22(28)25-16(3)21(27)24-9-10-29-18-7-5-4-6-8-18/h4-8,11-12,16,20,26H,9-10,13,23H2,1-3H3,(H,24,27)(H,25,28)