N-(2,6-dimethylphenyl)-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[2-keto-2-[2-(phenylthio)ethylamino]ethyl]thio]butyramide Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S2/c1-17-8-6-9-18(2)22(17)24-20(25)12-7-14-27-16-21(26)23-13-15-28-19-10-4-3-5-11-19/h3-6,8-11H,7,12-16H2,1-2H3,(H,23,26)(H,24,25)