ethyl 2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-2-methylphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H30ClN3O4S2 MolecularWeight: 512.085

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O4S2/c1-4-31-22(28)21(27-23(32)26-20-10-7-8-19(24)17(20)3)9-5-6-15-25-33(29,30)18-13-11-16(2)12-14-18/h7-8,10-14,21,25H,4-6,9,15H2,1-3H3,(H2,26,27,32)