N-methyl-3-[[3-[[3-(methylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-2-oxidanyl-5-phenyl-phenyl]methylsulfanyl]propanamide

Systemtic Name: N-methyl-3-[[3-[[3-(methylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-2-oxidanyl-5-phenyl-phenyl]methylsulfanyl]propanamide Openeye Name: 3-[[2-hydroxy-3-[[3-(methylamino)-3-oxo-propyl]sulfanylmethyl]-5-phenyl-phenyl]methylsulfanyl]-N-methyl-propanamide CAS Name: 3-[[2-hydroxy-3-[[[3-(methylamino)-3-oxopropyl]thio]methyl]-5-phenylphenyl]methylthio]-N-methylpropanamide IUPAC Name: 3-[[2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]sulfanylmethyl]-5-phenylphenyl]methylsulfanyl]-N-methylpropanamide Traditional Name: 3-[[2-hydroxy-3-[[[3-keto-3-(methylamino)propyl]thio]methyl]-5-phenyl-benzyl]thio]-N-methyl-propionamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCSCC1=CC(=CC(=C1O)CSCCC(=O)NC)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)CCSCC1=CC(=CC(=C1O)CSCCC(=O)NC)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S2/c1-23-20(25)8-10-28-14-18-12-17(16-6-4-3-5-7-16)13-19(22(18)27)15-29-11-9-21(26)24-2/h3-7,12-13,27H,8-11,14-15H2,1-2H3,(H,23,25)(H,24,26)