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

Systemtic Name: 2-[2-(1-benzothiophen-2-yl)ethanoylamino]-N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-pentanamide Openeye Name: 2-[[2-(benzothiophen-2-yl)acetyl]amino]-N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-pentanamide CAS Name: 2-[[2-(1-benzothiophen-2-yl)-1-oxoethyl]amino]-N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide IUPAC Name: 2-[[2-(1-benzothiophen-2-yl)acetyl]amino]-N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide Traditional Name: 2-[[2-(benzothiophen-2-yl)acetyl]amino]-N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-valeramide Formula: C28H36N2O4S2 MolecularWeight: 528.72644

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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=CC3=CC=CC=C3S2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)CC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C28H36N2O4S2/c1-4-5-11-23(25(31)18-35-17-21-10-8-13-34-21)30-28(33)24(14-19(2)3)29-27(32)16-22-15-20-9-6-7-12-26(20)36-22/h6-10,12-13,15,19,23-24H,4-5,11,14,16-18H2,1-3H3,(H,29,32)(H,30,33)