2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]sulfanylpropylsulfanyl]butanoic acid

Systemtic Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]sulfanylpropylsulfanyl]butanoic acid Openeye Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]sulfanylpropylsulfanyl]butanoic acid CAS Name: 2-[3-[[4-[2-(dimethylamino)-2-methyl-1-oxo-3-phenylpropyl]phenyl]thio]propylthio]butanoic acid IUPAC Name: 2-[3-[4-[2-(dimethylamino)-2-methyl-3-phenylpropanoyl]phenyl]sulfanylpropylsulfanyl]butanoic acid Traditional Name: 2-[3-[[4-[2-(dimethylamino)-2-methyl-3-phenyl-propanoyl]phenyl]thio]propylthio]butyric acid Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCCCSC1=CC=C(C=C1)C(=O)C(C)(CC2=CC=CC=C2)N(C)C

Isomeric SMILES

CCC(C(=O)O)SCCCSC1=CC=C(C=C1)C(=O)C(C)(CC2=CC=CC=C2)N(C)C

InChI

InChI=1S/C25H33NO3S2/c1-5-22(24(28)29)31-17-9-16-30-21-14-12-20(13-15-21)23(27)25(2,26(3)4)18-19-10-7-6-8-11-19/h6-8,10-15,22H,5,9,16-18H2,1-4H3,(H,28,29)