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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide Openeye Name: N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]benzamide CAS Name: N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide Traditional Name: N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]benzamide Formula: C19H15Cl3N4OS MolecularWeight: 453.7726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H15Cl3N4OS/c20-19(21,22)17(25-16(27)13-6-2-1-3-7-13)26-18(28)24-14-10-4-8-12-9-5-11-23-15(12)14/h1-11,17H,(H,25,27)(H2,24,26,28)