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

Systemtic Name: methyl 6-[(diphenylmethyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-(benzhydrylcarbamothioylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-(benzhydrylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(benzhydrylthiocarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C28H33N3O4S2 MolecularWeight: 539.70932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H33N3O4S2/c1-21-16-18-24(19-17-21)37(33,34)31-25(27(32)35-2)15-9-10-20-29-28(36)30-26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,16-19,25-26,31H,9-10,15,20H2,1-2H3,(H2,29,30,36)