2-[4-[[6-(dimethylamino)-6-oxidanylidene-hexyl]-methyl-amino]phenyl]carbonylsulfanylethyl benzoate

Systemtic Name: 2-[4-[[6-(dimethylamino)-6-oxidanylidene-hexyl]-methyl-amino]phenyl]carbonylsulfanylethyl benzoate Openeye Name: 2-[4-[[6-(dimethylamino)-6-oxo-hexyl]-methyl-amino]benzoyl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[[4-[[6-(dimethylamino)-6-oxohexyl]-methylamino]phenyl]-oxomethyl]thio]ethyl ester IUPAC Name: 2-[4-[[6-(dimethylamino)-6-oxohexyl]-methylamino]benzoyl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[4-[[6-(dimethylamino)-6-keto-hexyl]-methyl-amino]benzoyl]thio]ethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCCCCN(C)C1=CC=C(C=C1)C(=O)SCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)CCCCCN(C)C1=CC=C(C=C1)C(=O)SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4S/c1-26(2)23(28)12-8-5-9-17-27(3)22-15-13-21(14-16-22)25(30)32-19-18-31-24(29)20-10-6-4-7-11-20/h4,6-7,10-11,13-16H,5,8-9,12,17-19H2,1-3H3