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

Systemtic Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-(phenethylcarbamothioylamino)hexanoate Openeye Name: ethyl 2-(phenethylcarbamothioylamino)-6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[[(phenethylamino)-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-(phenethylcarbamothioylamino)hexanoate Traditional Name: 2-(phenethylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S2/c1-3-31-23(28)22(27-24(32)25-18-16-20-9-5-4-6-10-20)11-7-8-17-26-33(29,30)21-14-12-19(2)13-15-21/h4-6,9-10,12-15,22,26H,3,7-8,11,16-18H2,1-2H3,(H2,25,27,32)