3-chloranyl-6-methoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C17H12ClN3O5S2 MolecularWeight: 437.87728

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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=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O5S2/c1-26-9-3-4-10-13(7-9)28-15(14(10)18)16(23)20-17(27)19-11-5-2-8(21(24)25)6-12(11)22/h2-7,22H,1H3,(H2,19,20,23,27)