N-[1-(1,3-benzothiazol-2-ylsulfanyl)-2,2,2-tris(chloranyl)ethyl]butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylsulfanyl)-2,2,2-tris(chloranyl)ethyl]butanamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylsulfanyl)-2,2,2-trichloro-ethyl]butanamide CAS Name: N-[1-(1,3-benzothiazol-2-ylthio)-2,2,2-trichloroethyl]butanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylsulfanyl)-2,2,2-trichloroethyl]butanamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylthio)-2,2,2-trichloro-ethyl]butyramide Formula: C13H13Cl3N2OS2 MolecularWeight: 383.74412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C(Cl)(Cl)Cl)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC(=O)NC(C(Cl)(Cl)Cl)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13Cl3N2OS2/c1-2-5-10(19)18-11(13(14,15)16)21-12-17-8-6-3-4-7-9(8)20-12/h3-4,6-7,11H,2,5H2,1H3,(H,18,19)