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

Systemtic Name: ethyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylbenzoyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(p-toluoylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S2/c1-4-32-23(29)21(26-24(33)27-22(28)19-12-8-17(2)9-13-19)7-5-6-16-25-34(30,31)20-14-10-18(3)11-15-20/h8-15,21,25H,4-7,16H2,1-3H3,(H2,26,27,28,33)