methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 2-(p-tolylsulfonylamino)-6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-6-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 2-(tosylamino)-6-[(2,4,5-trimethylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=C(C=C(C(=C2)C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=C(C=C(C(=C2)C)C)C)C(=O)OC

InChI

InChI=1S/C24H33N3O4S2/c1-16-9-11-20(12-10-16)33(29,30)27-21(23(28)31-5)8-6-7-13-25-24(32)26-22-15-18(3)17(2)14-19(22)4/h9-12,14-15,21,27H,6-8,13H2,1-5H3,(H2,25,26,32)