2-[4-(6-propan-2-ylsulfanylhexanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[4-(6-propan-2-ylsulfanylhexanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[4-(6-isopropylsulfanylhexanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[4-[[1-oxo-6-(propan-2-ylthio)hexyl]amino]phenyl]thio]butanoic acid IUPAC Name: 2-[4-(6-propan-2-ylsulfanylhexanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[4-[6-(isopropylthio)hexanoylamino]phenyl]thio]butyric acid Formula: C19H29NO3S2 MolecularWeight: 383.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=C(C=C1)NC(=O)CCCCCSC(C)C

Isomeric SMILES

CCC(C(=O)O)SC1=CC=C(C=C1)NC(=O)CCCCCSC(C)C

InChI

InChI=1S/C19H29NO3S2/c1-4-17(19(22)23)25-16-11-9-15(10-12-16)20-18(21)8-6-5-7-13-24-14(2)3/h9-12,14,17H,4-8,13H2,1-3H3,(H,20,21)(H,22,23)