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

Systemtic Name: methyl 6-[(2-ethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-ethoxyphenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-ethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(o-phenetylthiocarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H31N3O5S2/c1-4-31-21-11-6-5-9-19(21)25-23(32)24-16-8-7-10-20(22(27)30-3)26-33(28,29)18-14-12-17(2)13-15-18/h5-6,9,11-15,20,26H,4,7-8,10,16H2,1-3H3,(H2,24,25,32)