butyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate

Systemtic Name: butyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate Openeye Name: butyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-thiocyanatoanilino)-sulfanylidenemethyl]carbamic acid butyl ester IUPAC Name: butyl N-[(2-nitro-4-thiocyanatophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-thiocyanato-phenyl)thiocarbamoyl]carbamic acid butyl ester Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S2/c1-2-3-6-21-13(18)16-12(22)15-10-5-4-9(23-8-14)7-11(10)17(19)20/h4-5,7H,2-3,6H2,1H3,(H2,15,16,18,22)