methyl N-[(5-methylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(5-methylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(5-methylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[[5-(methylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(5-methylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[[5-(methylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C10H11N3O4S2 MolecularWeight: 301.34204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4S2/c1-17-10(14)12-9(18)11-7-5-6(19-2)3-4-8(7)13(15)16/h3-5H,1-2H3,(H2,11,12,14,18)