N-[2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbamothioylamino]ethyl]furan-2-carboxamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbamothioylamino]ethyl]furan-2-carboxamide Openeye Name: N-[2,2,2-trichloro-1-(m-tolylcarbamothioylamino)ethyl]furan-2-carboxamide CAS Name: N-[2,2,2-trichloro-1-[[(3-methylanilino)-sulfanylidenemethyl]amino]ethyl]-2-furancarboxamide IUPAC Name: N-[2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]furan-2-carboxamide Traditional Name: N-[2,2,2-trichloro-1-(m-tolylthiocarbamoylamino)ethyl]-2-furamide Formula: C15H14Cl3N3O2S MolecularWeight: 406.71456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

InChI

InChI=1S/C15H14Cl3N3O2S/c1-9-4-2-5-10(8-9)19-14(24)21-13(15(16,17)18)20-12(22)11-6-3-7-23-11/h2-8,13H,1H3,(H,20,22)(H2,19,21,24)