4,5-bis(bromanyl)-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: 4,5-dibromo-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: 4,5-dibromo-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: 4,5-dibromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: 4,5-dibromo-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C13H9Br2N3O4S2 MolecularWeight: 495.16626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(S2)Br)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(S2)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9Br2N3O4S2/c1-22-9-3-2-6(4-8(9)18(20)21)16-13(23)17-12(19)10-5-7(14)11(15)24-10/h2-5H,1H3,(H2,16,17,19,23)