ethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxy-5-methylphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H33N3O5S2 MolecularWeight: 507.66592

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O5S2/c1-5-32-23(28)20(26-24(33)27-21-16-18(3)11-14-22(21)31-4)8-6-7-15-25-34(29,30)19-12-9-17(2)10-13-19/h9-14,16,20,25H,5-8,15H2,1-4H3,(H2,26,27,33)