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

Systemtic Name: ethyl N-[(4-butyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: ethyl N-[(4-butyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(4-butyl-2-nitroanilino)-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(4-butyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(4-butyl-2-nitro-phenyl)thiocarbamoyl]carbamic acid ethyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-3-5-6-10-7-8-11(12(9-10)17(19)20)15-13(22)16-14(18)21-4-2/h7-9H,3-6H2,1-2H3,(H2,15,16,18,22)