N-[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[(2R)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[(1R)-1-carbamoyl-3-methylsulfanyl-propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[(2R)-1-amino-4-(methylthio)-1-oxobutan-2-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[(1R)-1-carbamoyl-3-(methylthio)propyl]-2-chloro-5-nitro-benzamide Formula: C12H14ClN3O4S MolecularWeight: 331.77526

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O4S/c1-21-5-4-10(11(14)17)15-12(18)8-6-7(16(19)20)2-3-9(8)13/h2-3,6,10H,4-5H2,1H3,(H2,14,17)(H,15,18)/t10-/m1/s1