(phenylmethyl) N-[(2S)-1-[2-(3-chlorophenyl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-(3-chlorophenyl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(3-chlorobenzoyl)amino]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(3-chlorophenyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-(3-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(3-chlorobenzoyl)amino]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC(=CC=C1)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClN3O4/c1-13(2)17(22-20(27)28-12-14-7-4-3-5-8-14)19(26)24-23-18(25)15-9-6-10-16(21)11-15/h3-11,13,17H,12H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)/t17-/m0/s1