[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethylsulfanyl)ethylidene]azanium bromide

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethylsulfanyl)ethylidene]azanium bromide Openeye Name: [1-benzylsulfanyl-2-(tert-butoxycarbonylamino)ethylidene]ammonium bromide CAS Name: [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethylthio)ethylidene]ammonium bromide IUPAC Name: [1-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium bromide Traditional Name: [1-(benzylthio)-2-(tert-butoxycarbonylamino)ethylidene]ammonium bromide Formula: C14H21BrN2O2S MolecularWeight: 361.29774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=[NH2+])SCC1=CC=CC=C1.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=[NH2+])SCC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C14H20N2O2S.BrH/c1-14(2,3)18-13(17)16-9-12(15)19-10-11-7-5-4-6-8-11;/h4-8,15H,9-10H2,1-3H3,(H,16,17);1H