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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(NC(=O)C(CC(C)C)NC(=O)CC1=CSC2=CC=CC=C21)SCC3=CC=CO3

Isomeric SMILES

CCCCCC(=O)C(NC(=O)C(CC(C)C)NC(=O)CC1=CSC2=CC=CC=C21)SCC3=CC=CO3

InChI

InChI=1S/C28H36N2O4S2/c1-4-5-6-12-24(31)28(36-18-21-10-9-14-34-21)30-27(33)23(15-19(2)3)29-26(32)16-20-17-35-25-13-8-7-11-22(20)25/h7-11,13-14,17,19,23,28H,4-6,12,15-16,18H2,1-3H3,(H,29,32)(H,30,33)