methyl 2-[2-[(2-phenylphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(2-phenylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-phenylphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[1-oxo-2-[[(2-phenylanilino)-sulfanylidenemethyl]amino]ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-phenylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-phenylphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-3-4-13-19(21(27)28-2)24-20(26)15-23-22(29)25-18-14-9-8-12-17(18)16-10-6-5-7-11-16/h5-12,14,19H,3-4,13,15H2,1-2H3,(H,24,26)(H2,23,25,29)