N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]valeramide Formula: C14H16ClN3OS2 MolecularWeight: 341.87934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C(=C2)Cl)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C(=C2)Cl)C

InChI

InChI=1S/C14H16ClN3OS2/c1-3-4-5-12(19)17-13(20)18-14-16-10-7-9(15)8(2)6-11(10)21-14/h6-7H,3-5H2,1-2H3,(H2,16,17,18,19,20)