methyl 6-[(3-chlorophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(3-chlorophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(3-chlorophenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chlorophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(3-chlorophenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S2/c1-15-9-11-18(12-10-15)31(27,28)25-19(20(26)29-2)8-3-4-13-23-21(30)24-17-7-5-6-16(22)14-17/h5-7,9-12,14,19,25H,3-4,8,13H2,1-2H3,(H2,23,24,30)