N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O2S2/c1-4-5-6-16-7-8-18-19(12-16)29-22(23-18)25-21(28)24-20(26)13-27-17-10-14(2)9-15(3)11-17/h7-12H,4-6,13H2,1-3H3,(H2,23,24,25,26,28)