methyl 6-[(3-methoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(3-methoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(3-methoxyphenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-methoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(3-methoxyphenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S2/c1-16-10-12-19(13-11-16)32(27,28)25-20(21(26)30-3)9-4-5-14-23-22(31)24-17-7-6-8-18(15-17)29-2/h6-8,10-13,15,20,25H,4-5,9,14H2,1-3H3,(H2,23,24,31)