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

Systemtic Name: propyl N-[(2-nitro-4-propylsulfinyl-phenyl)carbamothioyl]carbamate Openeye Name: propyl N-[(2-nitro-4-propylsulfinyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-propylsulfinylanilino)-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[(2-nitro-4-propylsulfinylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-propylsulfinyl-phenyl)thiocarbamoyl]carbamic acid propyl ester Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)NC(=S)NC1=C(C=C(C=C1)S(=O)CCC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S2/c1-3-7-22-14(18)16-13(23)15-11-6-5-10(24(21)8-4-2)9-12(11)17(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,18,23)