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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,2,2-tris(chloranyl)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,2,2-trichloro-acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2,2,2-trichloroacetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,2,2-trichloroacetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2,2,2-trichloro-acetamide Formula: C14H14Cl3N3OS2 MolecularWeight: 410.76946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C14H14Cl3N3OS2/c1-2-3-4-8-5-6-9-10(7-8)23-13(18-9)20-12(22)19-11(21)14(15,16)17/h5-7H,2-4H2,1H3,(H2,18,19,20,21,22)