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

Systemtic Name: methyl N-[(2-nitro-4-prop-2-enylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-allylsulfinyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-prop-2-enylsulfinylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-4-prop-2-enylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(4-allylsulfinyl-2-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C12H13N3O5S2 MolecularWeight: 343.37872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S2/c1-3-6-22(19)8-4-5-9(10(7-8)15(17)18)13-11(21)14-12(16)20-2/h3-5,7H,1,6H2,2H3,(H2,13,14,16,21)