N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C12H8ClN3O4S2 MolecularWeight: 357.79262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN3O4S2/c13-7-4-6(16(19)20)5-8(10(7)17)14-12(21)15-11(18)9-2-1-3-22-9/h1-5,17H,(H2,14,15,18,21)