3-[(3-iodanylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoate

Systemtic Name: 3-[(3-iodanylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoate Openeye Name: 3-[(3-iodobenzoyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(3-iodobenzoyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(3-iodobenzoyl)thiocarbamoylamino]-4-methyl-benzoate Formula: C16H12IN2O3S- MolecularWeight: 439.24755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H13IN2O3S/c1-9-5-6-11(15(21)22)8-13(9)18-16(23)19-14(20)10-3-2-4-12(17)7-10/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)/p-1