methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H30ClN3O4S2 MolecularWeight: 512.085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C23H30ClN3O4S2/c1-17-6-12-20(13-7-17)33(29,30)27-21(22(28)31-2)5-3-4-15-25-23(32)26-16-14-18-8-10-19(24)11-9-18/h6-13,21,27H,3-5,14-16H2,1-2H3,(H2,25,26,32)