(phenylmethyl) N-[3-iodanyl-1-oxidanylidene-1-[(2-thiocyanatopyrrol-1-yl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-iodanyl-1-oxidanylidene-1-[(2-thiocyanatopyrrol-1-yl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[1-(iodomethyl)-2-oxo-2-[(2-thiocyanatopyrrol-1-yl)amino]ethyl]carbamate CAS Name: N-[3-iodo-1-oxo-1-[(2-thiocyanato-1-pyrrolyl)amino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-iodo-1-oxo-1-[(2-thiocyanatopyrrol-1-yl)amino]propan-2-yl]carbamate Traditional Name: N-[1-(iodomethyl)-2-keto-2-[(2-thiocyanatopyrrol-1-yl)amino]ethyl]carbamic acid benzyl ester Formula: C16H15IN4O3S MolecularWeight: 470.28477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CI)C(=O)NN2C=CC=C2SC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CI)C(=O)NN2C=CC=C2SC#N

InChI

InChI=1S/C16H15IN4O3S/c17-9-13(15(22)20-21-8-4-7-14(21)25-11-18)19-16(23)24-10-12-5-2-1-3-6-12/h1-8,13H,9-10H2,(H,19,23)(H,20,22)