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

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4-(3-methylbutyl)-N5-propyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4-isopentyl-N5-propyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N4-(3-methylbutyl)-N5-propylisoxazole-4,5-dicarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-N-(3-methylbutyl)-5-N-propyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-isoamyl-N'-propyl-isoxazole-4,5-dicarboxamide Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C

Isomeric SMILES

CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NCCC(C)C

InChI

InChI=1S/C20H26ClN3O3S/c1-4-10-22-20(26)18-17(19(25)23-11-9-13(2)3)16(24-27-18)12-28-15-7-5-14(21)6-8-15/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H,23,25)