ethyl N-[(2-nitro-4-propylsulfinyl-phenyl)carbamothioyl]carbamate

Systemtic Name: ethyl N-[(2-nitro-4-propylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: ethyl N-[(2-nitro-4-propylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-propylsulfinylanilino)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2-nitro-4-propylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-propylsulfinyl-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)C1=CC(=C(C=C1)NC(=S)NC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S2/c1-3-7-23(20)9-5-6-10(11(8-9)16(18)19)14-12(22)15-13(17)21-4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,17,22)