N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-hexan-3-yl]-4-methyl-2-(2-phenoxyethanoylamino)pentanamide

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-hexan-3-yl]-4-methyl-2-(2-phenoxyethanoylamino)pentanamide Openeye Name: N-[1-[2-(2-furylmethylsulfanyl)acetyl]butyl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide CAS Name: N-[1-(2-furanylmethylthio)-2-oxohexan-3-yl]-4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]pentanamide IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxohexan-3-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide Traditional Name: N-[1-[2-(2-furfurylthio)acetyl]butyl]-4-methyl-2-[(2-phenoxyacetyl)amino]valeramide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O5S/c1-4-9-21(23(28)17-33-16-20-12-8-13-31-20)27-25(30)22(14-18(2)3)26-24(29)15-32-19-10-6-5-7-11-19/h5-8,10-13,18,21-22H,4,9,14-17H2,1-3H3,(H,26,29)(H,27,30)