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

Systemtic Name: methyl N-[(4-butyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-butyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[(4-butyl-2-nitroanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-butyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(4-butyl-2-nitro-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-3-4-5-9-6-7-10(11(8-9)16(18)19)14-12(21)15-13(17)20-2/h6-8H,3-5H2,1-2H3,(H2,14,15,17,21)