sodium N1,N2-bis(2-bromoethyl)-4-methyl-5-(oxidanidyloxymethyl)benzene-1,2-dicarbothioamide

Systemtic Name: sodium N1,N2-bis(2-bromoethyl)-4-methyl-5-(oxidanidyloxymethyl)benzene-1,2-dicarbothioamide Openeye Name: sodium N1,N2-bis(2-bromoethyl)-4-methyl-5-(oxidooxymethyl)benzene-1,2-dicarbothioamide CAS Name: sodium N1,N2-bis(2-bromoethyl)-4-methyl-5-(oxidooxymethyl)benzene-1,2-dicarbothioamide IUPAC Name: sodium 1-N,2-N-bis(2-bromoethyl)-4-methyl-5-(oxidooxymethyl)benzene-1,2-dicarbothioamide Traditional Name: sodium N,N'-bis(2-bromoethyl)-4-methyl-5-(oxidooxymethyl)benzene-1,2-dicarbothioamide Formula: C14H17Br2N2NaO2S2 MolecularWeight: 492.22475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=S)NCCBr)C(=S)NCCBr)CO[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=S)NCCBr)C(=S)NCCBr)CO[O-].[Na+]

InChI

InChI=1S/C14H18Br2N2O2S2.Na/c1-9-6-11(13(21)17-4-2-15)12(7-10(9)8-20-19)14(22)18-5-3-16;/h6-7,19H,2-5,8H2,1H3,(H,17,21)(H,18,22);/q;+1/p-1