(2-azanyl-2-oxidanylidene-ethyl) (1Z)-N-[[(4-bromophenyl)disulfanyl]-methyl-carbamoyl]oxypropanimidothioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (1Z)-N-[[(4-bromophenyl)disulfanyl]-methyl-carbamoyl]oxypropanimidothioate Openeye Name: (2-amino-2-oxo-ethyl) (1Z)-N-[[(4-bromophenyl)disulfanyl]-methyl-carbamoyl]oxypropanimidothioate CAS Name: (1Z)-N-[[[(4-bromophenyl)disulfanyl]-methylamino]-oxomethoxy]propanimidothioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (1Z)-N-[[(4-bromophenyl)disulfanyl]-methylcarbamoyl]oxypropanimidothioate Traditional Name: (1Z)-N-[[(4-bromophenyl)disulfanyl]-methyl-carbamoyl]oxythiopropionimidic acid (2-amino-2-keto-ethyl) ester Formula: C13H16BrN3O3S3 MolecularWeight: 438.38344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOC(=O)N(C)SSC1=CC=C(C=C1)Br)SCC(=O)N

Isomeric SMILES

CC/C(=N/OC(=O)N(C)SSC1=CC=C(C=C1)Br)/SCC(=O)N

InChI

InChI=1S/C13H16BrN3O3S3/c1-3-12(21-8-11(15)18)16-20-13(19)17(2)23-22-10-6-4-9(14)5-7-10/h4-7H,3,8H2,1-2H3,(H2,15,18)/b16-12-