ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H32ClN3O4S2 MolecularWeight: 526.11158

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)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C24H32ClN3O4S2/c1-3-32-23(29)22(28-24(33)26-17-15-19-9-11-20(25)12-10-19)6-4-5-16-27-34(30,31)21-13-7-18(2)8-14-21/h7-14,22,27H,3-6,15-17H2,1-2H3,(H2,26,28,33)