ethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H33N3O6S2 MolecularWeight: 523.66532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C24H33N3O6S2/c1-5-33-23(28)20(26-24(34)27-21-16-18(31-3)11-14-22(21)32-4)8-6-7-15-25-35(29,30)19-12-9-17(2)10-13-19/h9-14,16,20,25H,5-8,15H2,1-4H3,(H2,26,27,34)