(phenylmethyl) N-[1-[[2-(2-bromoethylsulfanyl)-4-oxidanylidene-azetidin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[2-(2-bromoethylsulfanyl)-4-oxidanylidene-azetidin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[[2-(2-bromoethylsulfanyl)-4-oxo-azetidin-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[2-(2-bromoethylthio)-4-oxo-3-azetidinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[2-(2-bromoethylsulfanyl)-4-oxoazetidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[2-(2-bromoethylthio)-4-keto-azetidin-3-yl]amino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)SCCBr)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)SCCBr)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O4S/c23-11-12-31-21-18(20(28)26-21)25-19(27)17(13-15-7-3-1-4-8-15)24-22(29)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,24,29)(H,25,27)(H,26,28)