3,6-bis(chloranyl)-N-(pyridin-3-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(pyridin-3-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(3-pyridylmethylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(pyridin-3-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(3-pyridylmethylthiocarbamoyl)benzothiophene-2-carboxamide Formula: C16H11Cl2N3OS2 MolecularWeight: 396.31404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3OS2/c17-10-3-4-11-12(6-10)24-14(13(11)18)15(22)21-16(23)20-8-9-2-1-5-19-7-9/h1-7H,8H2,(H2,20,21,22,23)