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

Systemtic Name: methyl N-[(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-4-propoxy-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-propoxyanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-4-propoxyphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-propoxy-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-3-6-20-8-4-5-9(10(7-8)15(17)18)13-11(21)14-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,21)