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

Systemtic Name: 3-chloranyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H12ClN3O4S2 MolecularWeight: 421.87788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H12ClN3O4S2/c1-25-12-7-6-9(21(23)24)8-11(12)19-17(26)20-16(22)15-14(18)10-4-2-3-5-13(10)27-15/h2-8H,1H3,(H2,19,20,22,26)