N4,N5-bis(3-methylbutyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N4,N5-bis(3-methylbutyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-diisopentyl-3-(phenylsulfanylmethyl)isoxazole-4,5-dicarboxamide CAS Name: N4,N5-bis(3-methylbutyl)-3-[(phenylthio)methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis(3-methylbutyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-diisoamyl-3-[(phenylthio)methyl]isoxazole-4,5-dicarboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-15(2)10-12-23-21(26)19-18(14-29-17-8-6-5-7-9-17)25-28-20(19)22(27)24-13-11-16(3)4/h5-9,15-16H,10-14H2,1-4H3,(H,23,26)(H,24,27)