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

Systemtic Name: methyl 2-[2-[(2-iodanylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-iodophenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2-iodoanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-iodophenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-iodophenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C16H22IN3O3S MolecularWeight: 463.33365

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1I

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1I

InChI

InChI=1S/C16H22IN3O3S/c1-3-4-8-13(15(22)23-2)19-14(21)10-18-16(24)20-12-9-6-5-7-11(12)17/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,19,21)(H2,18,20,24)