4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dihexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dihexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dihexylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(dihexylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dihexylamino)-5-oxopentanoic acid Traditional Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(dihexylamino)-5-keto-valeric acid Formula: C24H37Cl2NO3S MolecularWeight: 490.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C24H37Cl2NO3S/c1-3-5-7-9-15-27(16-10-8-6-4-2)24(30)19(11-14-23(28)29)18-31-20-12-13-21(25)22(26)17-20/h12-13,17,19H,3-11,14-16,18H2,1-2H3,(H,28,29)