3-[(4-fluorophenyl)sulfanylmethyl]-N4,N5-dipropyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(4-fluorophenyl)sulfanylmethyl]-N4,N5-dipropyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-[(4-fluorophenyl)sulfanylmethyl]-N4,N5-dipropyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-fluorophenyl)thio]methyl]-N4,N5-dipropylisoxazole-4,5-dicarboxamide IUPAC Name: 3-[(4-fluorophenyl)sulfanylmethyl]-4-N,5-N-dipropyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[[(4-fluorophenyl)thio]methyl]-N,N'-dipropyl-isoxazole-4,5-dicarboxamide Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCC

Isomeric SMILES

CCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)F)C(=O)NCCC

InChI

InChI=1S/C18H22FN3O3S/c1-3-9-20-17(23)15-14(11-26-13-7-5-12(19)6-8-13)22-25-16(15)18(24)21-10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,24)