2-chloranyl-N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-1-(dimethylaminocarbamoyl)-3-methylsulfanyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-(methylthio)-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-1-(dimethylaminocarbamoyl)-3-(methylthio)propyl]-4-nitro-benzamide Formula: C14H19ClN4O4S MolecularWeight: 374.84306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)NC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O4S/c1-18(2)17-14(21)12(6-7-24-3)16-13(20)10-5-4-9(19(22)23)8-11(10)15/h4-5,8,12H,6-7H2,1-3H3,(H,16,20)(H,17,21)/t12-/m0/s1