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

Systemtic Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Openeye Name: ethyl 6-(p-tolylsulfonylamino)-2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-(tosylamino)-2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]hexanoic acid ethyl ester Formula: C25H35N3O4S2 MolecularWeight: 505.6931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S2/c1-6-32-24(29)22(27-25(33)28-23-16-19(4)18(3)15-20(23)5)9-7-8-14-26-34(30,31)21-12-10-17(2)11-13-21/h10-13,15-16,22,26H,6-9,14H2,1-5H3,(H2,27,28,33)