N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]hexanamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]hexanamide Formula: C14H15Cl2N3OS2 MolecularWeight: 376.3244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3OS2/c1-2-3-4-5-10(20)17-13(21)19-14-18-12-9(22-14)7-6-8(15)11(12)16/h6-7H,2-5H2,1H3,(H2,17,18,19,20,21)