3-methyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]butanamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]butanamide Openeye Name: 3-methyl-N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]butanamide CAS Name: 3-methyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]butanamide Traditional Name: 3-methyl-N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]butyramide Formula: C17H19Cl3N4OS MolecularWeight: 433.78296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C17H19Cl3N4OS/c1-10(2)9-13(25)23-15(17(18,19)20)24-16(26)22-12-7-3-5-11-6-4-8-21-14(11)12/h3-8,10,15H,9H2,1-2H3,(H,23,25)(H2,22,24,26)