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

Systemtic Name: ethyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H30ClN3O5S2 MolecularWeight: 528.0844

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O5S2/c1-4-32-22(28)19(26-23(33)27-20-15-17(24)10-13-21(20)31-3)7-5-6-14-25-34(29,30)18-11-8-16(2)9-12-18/h8-13,15,19,25H,4-7,14H2,1-3H3,(H2,26,27,33)