N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-(dimethylaminocarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(2,2-dimethylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-(dimethylaminocarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-17(2)16-14(20)12(7-8-23-3)15-13(19)10-5-4-6-11(9-10)18(21)22/h4-6,9,12H,7-8H2,1-3H3,(H,15,19)(H,16,20)/t12-/m0/s1