ethyl 3-[(2-iodanylphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2-iodanylphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2-iodobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-iodobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(2-iodobenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H21IN2O3S MolecularWeight: 496.36181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C20H21IN2O3S/c1-2-26-18(24)12-13-23(14-15-8-4-3-5-9-15)20(27)22-19(25)16-10-6-7-11-17(16)21/h3-11H,2,12-14H2,1H3,(H,22,25,27)