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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]furan-2-carboxamide Openeye Name: N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]furan-2-carboxamide CAS Name: N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]-2-furancarboxamide IUPAC Name: N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]furan-2-carboxamide Traditional Name: N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]-2-furamide Formula: C17H13Cl3N4O2S MolecularWeight: 443.73472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CO3)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CO3)N=CC=C2

InChI

InChI=1S/C17H13Cl3N4O2S/c18-17(19,20)15(23-14(25)12-7-3-9-26-12)24-16(27)22-11-6-1-4-10-5-2-8-21-13(10)11/h1-9,15H,(H,23,25)(H2,22,24,27)