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

Systemtic Name: propyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate Openeye Name: propyl N-[(2-nitro-4-thiocyanato-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitro-4-thiocyanatoanilino)-sulfanylidenemethyl]carbamic acid propyl ester IUPAC Name: propyl N-[(2-nitro-4-thiocyanatophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitro-4-thiocyanato-phenyl)thiocarbamoyl]carbamic acid propyl ester Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4S2/c1-2-5-20-12(17)15-11(21)14-9-4-3-8(22-7-13)6-10(9)16(18)19/h3-4,6H,2,5H2,1H3,(H2,14,15,17,21)