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

Systemtic Name: methyl 6-[(2-chlorophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-chlorophenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chlorophenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2-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=C2Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C21H26ClN3O4S2/c1-15-10-12-16(13-11-15)31(27,28)25-19(20(26)29-2)9-5-6-14-23-21(30)24-18-8-4-3-7-17(18)22/h3-4,7-8,10-13,19,25H,5-6,9,14H2,1-2H3,(H2,23,24,30)