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

Systemtic Name: ethyl 2-[(diphenylmethyl)carbamothioylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-(benzhydrylcarbamothioylamino)-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylcarbamothioylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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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(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4S2/c1-3-36-28(33)26(16-10-11-21-30-38(34,35)25-19-17-22(2)18-20-25)31-29(37)32-27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,17-20,26-27,30H,3,10-11,16,21H2,1-2H3,(H2,31,32,37)