3,6-bis(chloranyl)-N-[(2-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-nitrophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H9Cl2N3O3S2 MolecularWeight: 426.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Cl2N3O3S2/c17-8-5-6-9-12(7-8)26-14(13(9)18)15(22)20-16(25)19-10-3-1-2-4-11(10)21(23)24/h1-7H,(H2,19,20,22,25)