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

Systemtic Name: methyl 6-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-2-methylphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S2/c1-15-10-12-17(13-11-15)32(28,29)26-20(21(27)30-3)8-4-5-14-24-22(31)25-19-9-6-7-18(23)16(19)2/h6-7,9-13,20,26H,4-5,8,14H2,1-3H3,(H2,24,25,31)