3-[(4-chlorophenyl)sulfanylmethyl]-N4,N5-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4,N5-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4,N5-diisopentyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N4,N5-bis(3-methylbutyl)isoxazole-4,5-dicarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-N,5-N-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N,N'-diisoamyl-isoxazole-4,5-dicarboxamide Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C

InChI

InChI=1S/C22H30ClN3O3S/c1-14(2)9-11-24-21(27)19-18(13-30-17-7-5-16(23)6-8-17)26-29-20(19)22(28)25-12-10-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H,24,27)(H,25,28)