3-chloranyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H9ClFN3O3S2 MolecularWeight: 409.842363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C16H9ClFN3O3S2/c17-13-9-3-1-2-4-12(9)26-14(13)15(22)20-16(25)19-11-7-8(21(23)24)5-6-10(11)18/h1-7H,(H2,19,20,22,25)