N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Openeye Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide CAS Name: N-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]hexanamide Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=NC2=C(C=CC(=C2S1)C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=NC2=C(C=CC(=C2S1)C)C

InChI

InChI=1S/C16H21N3OS2/c1-4-5-6-7-12(20)17-15(21)19-16-18-13-10(2)8-9-11(3)14(13)22-16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20,21)