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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]hexanamide Formula: C15H18ClN3OS2 MolecularWeight: 355.90592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3OS2/c1-3-4-5-6-13(20)18-14(21)19-15-17-11-8-10(16)9(2)7-12(11)22-15/h7-8H,3-6H2,1-2H3,(H2,17,18,19,20,21)