3,6-bis(chloranyl)-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H8Cl2FN3O3S2 MolecularWeight: 444.287423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C16H8Cl2FN3O3S2/c17-7-1-3-9-12(5-7)27-14(13(9)18)15(23)21-16(26)20-8-2-4-10(19)11(6-8)22(24)25/h1-6H,(H2,20,21,23,26)