2-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-fluoro-benzamide Formula: C17H13ClFN3OS2 MolecularWeight: 393.886023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl)C#N

InChI

InChI=1S/C17H13ClFN3OS2/c18-13-7-9(19)5-6-11(13)15(23)21-17(24)22-16-12(8-20)10-3-1-2-4-14(10)25-16/h5-7H,1-4H2,(H2,21,22,23,24)