N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Openeye Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide CAS Name: N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]pentanamide Traditional Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]valeramide Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=NC2=C(C=C(C=C2S1)C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=NC2=C(C=C(C=C2S1)C)C

InChI

InChI=1S/C15H19N3OS2/c1-4-5-6-12(19)16-14(20)18-15-17-13-10(3)7-9(2)8-11(13)21-15/h7-8H,4-6H2,1-3H3,(H2,16,17,18,19,20)