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

Systemtic Name: 3-chloranyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H10ClN3O4S2 MolecularWeight: 407.8513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O4S2/c17-13-9-3-1-2-4-12(9)26-14(13)15(22)19-16(25)18-10-7-8(20(23)24)5-6-11(10)21/h1-7,21H,(H2,18,19,22,25)