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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCC2=CC=CC=C2OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCC2=CC=CC=C2OC)C(=O)OC

InChI

InChI=1S/C23H31N3O5S2/c1-17-11-13-19(14-12-17)33(28,29)26-20(22(27)31-3)9-6-7-15-24-23(32)25-16-18-8-4-5-10-21(18)30-2/h4-5,8,10-14,20,26H,6-7,9,15-16H2,1-3H3,(H2,24,25,32)