methyl 6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H30ClN3O6S2 MolecularWeight: 544.0838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

InChI

InChI=1S/C23H30ClN3O6S2/c1-15-8-10-16(11-9-15)35(29,30)27-18(22(28)33-4)7-5-6-12-25-23(34)26-19-14-20(31-2)17(24)13-21(19)32-3/h8-11,13-14,18,27H,5-7,12H2,1-4H3,(H2,25,26,34)