N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pentanamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pentanamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pentanamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]valeramide Formula: C12H13ClN4OS2 MolecularWeight: 328.84082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC2=NSN=C21)Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC2=NSN=C21)Cl

InChI

InChI=1S/C12H13ClN4OS2/c1-2-3-4-9(18)14-12(19)15-10-7(13)5-6-8-11(10)17-20-16-8/h5-6H,2-4H2,1H3,(H2,14,15,18,19)