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

Systemtic Name: 3-chloranyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H9Cl2N3O3S2 MolecularWeight: 426.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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