(phenylmethyl) N-[2-[(2-bromanylethanoylamino)-(phenylmethyl)amino]ethanoylamino]carbamate

Systemtic Name: (phenylmethyl) N-[2-[(2-bromanylethanoylamino)-(phenylmethyl)amino]ethanoylamino]carbamate Openeye Name: benzyl N-[[2-[benzyl-[(2-bromoacetyl)amino]amino]acetyl]amino]carbamate CAS Name: N-[[2-[[(2-bromo-1-oxoethyl)amino]-(phenylmethyl)amino]-1-oxoethyl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[2-[benzyl-[(2-bromoacetyl)amino]amino]acetyl]amino]carbamate Traditional Name: N-[[2-[benzyl-[(2-bromoacetyl)amino]amino]acetyl]amino]carbamic acid benzyl ester Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)NNC(=O)OCC2=CC=CC=C2)NC(=O)CBr

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)NNC(=O)OCC2=CC=CC=C2)NC(=O)CBr

InChI

InChI=1S/C19H21BrN4O4/c20-11-17(25)23-24(12-15-7-3-1-4-8-15)13-18(26)21-22-19(27)28-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,26)(H,22,27)(H,23,25)