pentyl 2-[(2-iodanylphenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(2-iodanylphenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(2-iodophenyl)carbamothioylamino]acetate CAS Name: 2-[[(2-iodoanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(2-iodophenyl)carbamothioylamino]acetate Traditional Name: 2-[(2-iodophenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C14H19IN2O2S MolecularWeight: 406.28233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC=CC=C1I

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC=CC=C1I

InChI

InChI=1S/C14H19IN2O2S/c1-2-3-6-9-19-13(18)10-16-14(20)17-12-8-5-4-7-11(12)15/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,16,17,20)