3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]butanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-7(2)5-11(17)14-12(20)13-9-6-8(15(18)19)3-4-10(9)16/h3-4,6-7,16H,5H2,1-2H3,(H2,13,14,17,20)