methyl [(2-nitro-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylmethanoate

Systemtic Name: methyl [(2-nitro-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylmethanoate Openeye Name: methyl [(2-nitro-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylformate CAS Name: [[[[2-nitro-5-(propylthio)anilino]-oxomethyl]amino]thio]formic acid methyl ester IUPAC Name: methyl [(2-nitro-5-propylsulfanylphenyl)carbamoylamino]sulfanylformate Traditional Name: [[[2-nitro-5-(propylthio)phenyl]carbamoylamino]thio]formic acid methyl ester Formula: C12H15N3O5S2 MolecularWeight: 345.3946

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)NSC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)NSC(=O)OC

InChI

InChI=1S/C12H15N3O5S2/c1-3-6-21-8-4-5-10(15(18)19)9(7-8)13-11(16)14-22-12(17)20-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16)