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

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-phenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-chloro-2-methyl-phenyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[(4-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-methylphenyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(4-chloro-2-methyl-phenyl)thiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H30ClN3O4S2 MolecularWeight: 512.085

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O4S2/c1-4-31-22(28)21(27-23(32)26-20-13-10-18(24)15-17(20)3)7-5-6-14-25-33(29,30)19-11-8-16(2)9-12-19/h8-13,15,21,25H,4-7,14H2,1-3H3,(H2,26,27,32)