ethyl 2-[(diphenylmethyl)carbamothioylamino]hexanoate

Systemtic Name: ethyl 2-[(diphenylmethyl)carbamothioylamino]hexanoate Openeye Name: ethyl 2-(benzhydrylcarbamothioylamino)hexanoate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylcarbamothioylamino)hexanoate Traditional Name: 2-(benzhydrylthiocarbamoylamino)hexanoic acid ethyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OCC)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-3-5-16-19(21(25)26-4-2)23-22(27)24-20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-20H,3-5,16H2,1-2H3,(H2,23,24,27)