methyl N-[[4-(methoxymethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-(methoxymethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(methoxymethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(methoxymethylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(methoxymethylsulfanyl)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(methoxymethylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C11H13N3O5S2 MolecularWeight: 331.36802

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Descriptors Computed from Structure

Canonical SMILES:

COCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S2/c1-18-6-21-7-3-4-8(9(5-7)14(16)17)12-10(20)13-11(15)19-2/h3-5H,6H2,1-2H3,(H2,12,13,15,20)