N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-ethylphenoxy)acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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