ethyl 3-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-iodo-4-methyl-benzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-iodo-4-methylbenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-iodo-4-methyl-benzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C21H23IN2O3S MolecularWeight: 510.38839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23IN2O3S/c1-3-27-19(25)11-12-24(14-16-7-5-4-6-8-16)21(28)23-20(26)17-10-9-15(2)18(22)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,26,28)