3-chloranyl-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H15ClN4OS2 MolecularWeight: 414.9316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)N(CCC#N)CC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)N(CCC#N)CC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H15ClN4OS2/c20-16-14-6-1-2-7-15(14)27-17(16)18(25)23-19(26)24(10-4-8-21)12-13-5-3-9-22-11-13/h1-3,5-7,9,11H,4,10,12H2,(H,23,25,26)