N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]butanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]butanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]butanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]butanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]butanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]butyramide Formula: C13H16Cl3N3OS MolecularWeight: 368.70964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H16Cl3N3OS/c1-2-6-10(20)18-11(13(14,15)16)19-12(21)17-9-7-4-3-5-8-9/h3-5,7-8,11H,2,6H2,1H3,(H,18,20)(H2,17,19,21)