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

Systemtic Name: N4-(3-methylbutyl)-N5-(phenylmethyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: N5-benzyl-N4-isopentyl-3-(phenylsulfanylmethyl)isoxazole-4,5-dicarboxamide CAS Name: N4-(3-methylbutyl)-N5-(phenylmethyl)-3-[(phenylthio)methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-4-N-(3-methylbutyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: N'-benzyl-N-isoamyl-3-[(phenylthio)methyl]isoxazole-4,5-dicarboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-17(2)13-14-25-23(28)21-20(16-31-19-11-7-4-8-12-19)27-30-22(21)24(29)26-15-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,25,28)(H,26,29)