N-[[3-[(3-ethoxyphenyl)methoxy]phenyl]carbamothioyl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[[3-[(3-ethoxyphenyl)methoxy]phenyl]carbamothioyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[[3-[(3-ethoxyphenyl)methoxy]phenyl]carbamothioyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[[3-[(3-ethoxyphenyl)methoxy]anilino]-sulfanylidenemethyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[[3-[(3-ethoxyphenyl)methoxy]phenyl]carbamothioyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[[3-(3-ethoxybenzyl)oxyphenyl]thiocarbamoyl]-5-methyl-isoxazole-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=NOC(=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C21H21N3O4S/c1-3-26-17-8-4-6-15(11-17)13-27-18-9-5-7-16(12-18)22-21(29)23-20(25)19-10-14(2)28-24-19/h4-12H,3,13H2,1-2H3,(H2,22,23,25,29)