3,5-dimethyl-N-[(3-phenethyloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[(3-phenethyloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[(3-phenethyloxyphenyl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[(3-phenethyloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[(3-phenethyloxyphenyl)thiocarbamoyl]isoxazole-4-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-14-19(15(2)27-24-14)20(25)23-21(28)22-17-9-6-10-18(13-17)26-12-11-16-7-4-3-5-8-16/h3-10,13H,11-12H2,1-2H3,(H2,22,23,25,28)