N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]butanamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]butanamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]butanamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]butyramide Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-3-4-11(16)14-12(20)13-8-5-6-10(19-2)9(7-8)15(17)18/h5-7H,3-4H2,1-2H3,(H2,13,14,16,20)