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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]valeramide Formula: C13H14ClN3OS2 MolecularWeight: 327.85276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC=C2Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC=C2Cl

InChI

InChI=1S/C13H14ClN3OS2/c1-2-3-7-10(18)15-12(19)17-13-16-11-8(14)5-4-6-9(11)20-13/h4-6H,2-3,7H2,1H3,(H2,15,16,17,18,19)