3-chloranyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C17H11ClFN3O4S2 MolecularWeight: 439.868343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C17H11ClFN3O4S2/c1-26-9-3-4-10-13(7-9)28-15(14(10)18)16(23)21-17(27)20-12-6-8(22(24)25)2-5-11(12)19/h2-7H,1H3,(H2,20,21,23,27)