methyl 6-[(2,5-dimethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(2,5-dimethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2,5-dimethoxyphenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,5-dimethoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=C(C=CC(=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=C(C=CC(=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C23H31N3O6S2/c1-16-8-11-18(12-9-16)34(28,29)26-19(22(27)32-4)7-5-6-14-24-23(33)25-20-15-17(30-2)10-13-21(20)31-3/h8-13,15,19,26H,5-7,14H2,1-4H3,(H2,24,25,33)