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

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl]propionamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCC2=CC=CS2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCC2=CC=CS2)N)C)O

InChI

InChI=1S/C20H27N3O3S/c1-12-9-15(24)10-13(2)17(12)11-18(21)20(26)23-14(3)19(25)22-7-6-16-5-4-8-27-16/h4-5,8-10,14,18,24H,6-7,11,21H2,1-3H3,(H,22,25)(H,23,26)