N-(1-acetamido-2-oxidanylidene-heptan-3-yl)-4-(naphthalen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-(1-acetamido-2-oxidanylidene-heptan-3-yl)-4-(naphthalen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[1-(2-acetamidoacetyl)pentyl]-4-(2-naphthylmethylsulfanyl)benzamide CAS Name: N-(1-acetamido-2-oxoheptan-3-yl)-4-(2-naphthalenylmethylthio)benzamide IUPAC Name: N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[1-(2-acetamidoacetyl)pentyl]-4-(2-naphthylmethylthio)benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CNC(=O)C)NC(=O)C1=CC=C(C=C1)SCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC(C(=O)CNC(=O)C)NC(=O)C1=CC=C(C=C1)SCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H30N2O3S/c1-3-4-9-25(26(31)17-28-19(2)30)29-27(32)22-12-14-24(15-13-22)33-18-20-10-11-21-7-5-6-8-23(21)16-20/h5-8,10-16,25H,3-4,9,17-18H2,1-2H3,(H,28,30)(H,29,32)