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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-methoxybenzoyl)carbamothioylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxybenzoyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(p-anisoylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S2/c1-4-33-23(29)21(26-24(34)27-22(28)18-10-12-19(32-3)13-11-18)7-5-6-16-25-35(30,31)20-14-8-17(2)9-15-20/h8-15,21,25H,4-7,16H2,1-3H3,(H2,26,27,28,34)