(phenylmethyl) N-[(3-iodanyl-4-oxidanyl-phenyl)methyl-(2-oxidanylidenepropylcarbamoyl)amino]carbamate

Systemtic Name: (phenylmethyl) N-[(3-iodanyl-4-oxidanyl-phenyl)methyl-(2-oxidanylidenepropylcarbamoyl)amino]carbamate Openeye Name: benzyl N-[acetonylcarbamoyl-[(4-hydroxy-3-iodo-phenyl)methyl]amino]carbamate CAS Name: N-[(4-hydroxy-3-iodophenyl)methyl-[oxo-(2-oxopropylamino)methyl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4-hydroxy-3-iodophenyl)methyl-(2-oxopropylcarbamoyl)amino]carbamate Traditional Name: N-[acetonylcarbamoyl-(4-hydroxy-3-iodo-benzyl)amino]carbamic acid benzyl ester Formula: C19H20IN3O5 MolecularWeight: 497.28367

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)N(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CNC(=O)N(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20IN3O5/c1-13(24)10-21-18(26)23(11-15-7-8-17(25)16(20)9-15)22-19(27)28-12-14-5-3-2-4-6-14/h2-9,25H,10-12H2,1H3,(H,21,26)(H,22,27)