N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]butanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]butyramide Formula: C11H12BrN3O3S MolecularWeight: 346.20028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C11H12BrN3O3S/c1-2-3-10(16)14-11(19)13-9-5-4-7(15(17)18)6-8(9)12/h4-6H,2-3H2,1H3,(H2,13,14,16,19)