N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-3-(methylthio)-1-[(piperonyloylamino)carbamoyl]propyl]-3-nitro-benzamide Formula: C20H19ClN4O7S MolecularWeight: 494.90546

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O7S/c1-33-7-6-14(22-18(26)11-2-4-13(21)15(8-11)25(29)30)20(28)24-23-19(27)12-3-5-16-17(9-12)32-10-31-16/h2-5,8-9,14H,6-7,10H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-/m0/s1