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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-(phenethylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(phenethylcarbamothioylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-6-[[(phenethylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-(phenethylcarbamothioylamino)hexanoate Traditional Name: 6-(phenethylthiocarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C23H31N3O4S2/c1-18-11-13-20(14-12-18)32(28,29)26-21(22(27)30-2)10-6-7-16-24-23(31)25-17-15-19-8-4-3-5-9-19/h3-5,8-9,11-14,21,26H,6-7,10,15-17H2,1-2H3,(H2,24,25,31)