N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-14-12-19(24-28-14)23-21(26)15(2)29-18-10-8-16(9-11-18)22-20(25)13-27-17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H,22,25)(H,23,24,26)