2-[2-(1,3-benzodioxol-4-yl)ethanoylamino]-N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-pentanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-4-yl)ethanoylamino]-N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-pentanamide Openeye Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-pentanamide CAS Name: 2-[[2-(1,3-benzodioxol-4-yl)-1-oxoethyl]amino]-N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide IUPAC Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide Traditional Name: 2-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-valeramide Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)CC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)CC2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C27H36N2O6S/c1-4-5-10-21(23(30)16-36-15-20-9-7-12-33-20)29-27(32)22(13-18(2)3)28-25(31)14-19-8-6-11-24-26(19)35-17-34-24/h6-9,11-12,18,21-22H,4-5,10,13-17H2,1-3H3,(H,28,31)(H,29,32)