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

Systemtic Name: 3-chloranyl-N-(pyridin-3-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3-pyridylmethylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(pyridin-3-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-pyridylmethylthiocarbamoyl)benzothiophene-2-carboxamide Formula: C16H12ClN3OS2 MolecularWeight: 361.86898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C16H12ClN3OS2/c17-13-11-5-1-2-6-12(11)23-14(13)15(21)20-16(22)19-9-10-4-3-7-18-8-10/h1-8H,9H2,(H2,19,20,21,22)