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

Systemtic Name: 2-methyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide Openeye Name: 2-methyl-N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]propanamide CAS Name: 2-methyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]propanamide IUPAC Name: 2-methyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide Traditional Name: 2-methyl-N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]propionamide Formula: C16H17Cl3N4OS MolecularWeight: 419.75638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl3N4OS/c1-9(2)13(24)22-14(16(17,18)19)23-15(25)21-11-7-3-5-10-6-4-8-20-12(10)11/h3-9,14H,1-2H3,(H,22,24)(H2,21,23,25)